dr:d008 : No such data.

KEGG   DRUG: Chloramphenicol
Entry
D00104                      Drug                                   
Name
Chloramphenicol (JP18/USP/INN);
Amphicol (TN);
Chloromycetin (TN);
Econochlor (TN)
Formula
C11H12Cl2N2O5
Exact mass
322.0123
Mol weight
323.1294
Structure
Simcomp
Source
Streptomyces venezuelae [TAX:54571], Streptomyces omiyaensis [TAX:68247]
Class
Antibacterial
 DG01576  Amphenicol type antibacterial
Metabolizing enzyme inhibitor
 DG01933  CYP2C19 inhibitor
Remark
Same as: C00918
Therapeutic category: 1317 1325 2521 2634 6151
ATC code: D06AX02 D10AF03 G01AA05 J01BA01 S01AA01 S02AA01 S03AA08
Chemical structure group: DG00399
Product (DG00399): D00104<JP> D02185<JP/US>
Product (mixture): D04106<JP> D04753<JP>
Efficacy
Antibacterial, Antirickettsial, Protein biosynthesis inhibitor
Comment
Natural product
Amphenicol derivative
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
CYP inhibition: CYP2C19 [HSA:1557]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06A ANTIBIOTICS FOR TOPICAL USE
    D06AX Other antibiotics for topical use
     D06AX02 Chloramphenicol
      D00104  Chloramphenicol (JP18/USP/INN) <JP>
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AF Antiinfectives for treatment of acne
     D10AF03 Chloramphenicol
      D00104  Chloramphenicol (JP18/USP/INN) <JP>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AA Antibiotics
     G01AA05 Chloramphenicol
      D00104  Chloramphenicol (JP18/USP/INN) <JP>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01B AMPHENICOLS
    J01BA Amphenicols
     J01BA01 Chloramphenicol
      D00104  Chloramphenicol (JP18/USP/INN) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA01 Chloramphenicol
      D00104  Chloramphenicol (JP18/USP/INN) <JP>
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA01 Chloramphenicol
      D00104  Chloramphenicol (JP18/USP/INN) <JP>
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA08 Chloramphenicol
      D00104  Chloramphenicol (JP18/USP/INN) <JP>
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Chloramphenicol
    D00104  Chloramphenicol (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1317  Ophthalmic antibiotics
     D00104  Chloramphenicol (JP18/USP/INN)
   132  Otic and nasal agents
    1325  Otolaryngologic antibiotics
     D00104  Chloramphenicol (JP18/USP/INN)
 2  Agents affecting individual organs
  25  Urogenital and anal organ agents
   252  Genital organ agents
    2521  Antibiotics
     D00104  Chloramphenicol (JP18/USP/INN)
  26  Epidermides
   263  Suppurative dermatosis agents
    2634  Antibiotics for external use
     D00104  Chloramphenicol (JP18/USP/INN)
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   615  Acting mainly on gram-positive bacteria, gram-negative bacteria, rickettsia and chlamydia
    6151  Chloramphenicols
     D00104  Chloramphenicol (JP18/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  56 Purulent skin remedies
   D00104  Chloramphenicol (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Chloramphenicol
    D00104  Chloramphenicol (JP18/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01576  Amphenicol type antibacterial
   DG00399  Chloramphenicol
    D00104  Chloramphenicol
 Metabolizing enzyme inhibitor
  DG01933  CYP2C19 inhibitor
   D00104  Chloramphenicol
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Amphenicol
    D00104  Chloramphenicol (JP18/USP/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00104  Chloramphenicol
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00104
Prodrugs [br08324.html]
 D00104
Drug groups [BR:br08330]
 Antibacterial
  DG01576  Amphenicol type antibacterial
   DG00399  Chloramphenicol
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Amphenicol
    DG00399  Chloramphenicol
Prodrugs [br08324.html]
 DG00399
Other DBs
CAS: 56-75-7
PubChem: 7847172
ChEBI: 17698
PDB-CCD: CLM[PDBj]
LigandBox: D00104
NIKKAJI: J2.802I
LinkDB
KCF data

ATOM        20
            1   C8y C    21.4200  -17.2900
            2   C1c C    21.4200  -18.6900
            3   C8x C    20.2300  -16.5900
            4   C8x C    22.6800  -16.5900
            5   C1c C    22.6100  -19.3900
            6   O1a O    20.2300  -19.3900
            7   C8x C    20.2300  -15.1900
            8   C8x C    22.6800  -15.1900
            9   N1b N    23.8700  -18.6900
            10  C1b C    22.6100  -20.7900
            11  C8y C    21.4200  -14.4900
            12  C5a C    25.0600  -19.3900
            13  O1a O    21.4200  -21.4900
            14  N2b N    21.4200  -13.0900 #+
            15  C1c C    26.2500  -18.6900
            16  O5a O    25.0600  -20.7900
            17  O3a O    20.2300  -12.3900
            18  O3a O    22.6100  -12.3900 #-
            19  X   Cl   27.5100  -19.3900
            20  X   Cl   26.2500  -17.2900
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   12  16 2
            16   14  17 2
            17   14  18 1
            18   15  19 1
            19   15  20 1
            20    8  11 1

» Japanese version   » Back

KEGG   DRUG: Erythromycin
Entry
D00140                      Drug                                   
Name
Erythromycin (JP18/USP/INN);
Akne-mycin (TN);
Eryc (TN);
Erygel (TN);
Pce (TN);
Staticin (TN);
T-stat (TN)
Product
ERYGEL (Mylan Pharmaceuticals)
  Generic
ERY (Bryant Ranch Prepack), ERY (Padagis Israel Pharmaceuticals), ERY-TAB (Arbor Pharmaceuticals), ERY-TAB (PD-Rx Pharmaceuticals), ERY-TAB (PD-Rx Pharmaceuticals), ERY-TAB (PD-Rx Pharmaceuticals), ERYTHROMYCIN (A-S Medication Solutions), ERYTHROMYCIN (A-S Medication Solutions), ERYTHROMYCIN (A-S Medication Solutions), ERYTHROMYCIN (ARMAS PHARMACEUTICALS), ERYTHROMYCIN (Alembic Pharmaceuticals Limited), ERYTHROMYCIN (Alembic Pharmaceuticals), ERYTHROMYCIN (Amneal Pharmaceuticals NY LLC), ERYTHROMYCIN (Amneal Pharmaceuticals NY LLC), ERYTHROMYCIN (Arbor Pharmaceuticals), ERYTHROMYCIN (Arbor Pharmaceuticals), ERYTHROMYCIN (Ascend Laboratories), ERYTHROMYCIN (Asclemed USA), ERYTHROMYCIN (Asclemed USA), ERYTHROMYCIN (Asclemed USA), ERYTHROMYCIN (Bausch & Lomb Incorporated), ERYTHROMYCIN (Bryant Ranch Prepack), ERYTHROMYCIN (Bryant Ranch Prepack), ERYTHROMYCIN (Bryant Ranch Prepack), ERYTHROMYCIN (Bryant Ranch Prepack), ERYTHROMYCIN (Cadila Pharmaceuticals Limited), ERYTHROMYCIN (Cardinal Health 107), ERYTHROMYCIN (Golden State Medical Supply), ERYTHROMYCIN (Golden State Medical Supply), ERYTHROMYCIN (MICRO LABS LIMITED), ERYTHROMYCIN (Mayne Pharma), ERYTHROMYCIN (Modavar Pharmaceuticals LLC), ERYTHROMYCIN (Mylan Pharmaceuticals), ERYTHROMYCIN (Nivagen Pharmaceuticals), ERYTHROMYCIN (NuCare Pharmaceuticals), ERYTHROMYCIN (NuCare Pharmaceuticals), ERYTHROMYCIN (NuCare Pharmaceuticals), ERYTHROMYCIN (NuCare Pharmaceuticals), ERYTHROMYCIN (Orange Pharmaceuticals USA LLC), ERYTHROMYCIN (PD-Rx Pharmaceuticals), ERYTHROMYCIN (PD-Rx Pharmaceuticals), ERYTHROMYCIN (Padagis Israel Pharmaceuticals), ERYTHROMYCIN (Padagis Israel Pharmaceuticals), ERYTHROMYCIN (Padagis US LLC), ERYTHROMYCIN (Preferred Pharmaceuticals), ERYTHROMYCIN (Proficient Rx LP), ERYTHROMYCIN (Proficient Rx LP), ERYTHROMYCIN (Proficient Rx LP), ERYTHROMYCIN (REMEDYREPACK), ERYTHROMYCIN (REMEDYREPACK), ERYTHROMYCIN (RPK Pharmaceuticals), ERYTHROMYCIN (Teva Pharmaceuticals USA), ERYTHROMYCIN (Torrent Pharmaceuticals Limited), ERYTHROMYCIN (Torrent Pharmaceuticals Limited), ERYTHROMYCIN (Wilshire Pharmaceuticals), ERYTHROMYCIN (Wilshire Pharmaceuticals), ERYTHROMYCIN (Zydus Lifesciences Limited), ERYTHROMYCIN (Zydus Lifesciences Limited), ERYTHROMYCIN (Zydus Pharmaceuticals USA), ERYTHROMYCIN (Zydus Pharmaceuticals USA)
Formula
C37H67NO13
Exact mass
733.4612
Mol weight
733.9268
Structure
Simcomp
Sequence
0 Pyk  1 Mtk  2 Mtn  3 Mte  4 Mtk  5 Mtk  6 Mtn
  Type
PK
Source
Saccharopolyspora erythraea [TAX:1836]
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01874  14-membered ring macrolide antibiotic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Same as: C01912
Therapeutic category: 6141
ATC code: D10AF02 J01FA01 S01AA17
Chemical structure group: DG00436
Product (DG00436): D00140<JP/US> D01361<JP/US> D02009<JP/US> D02184<JP/US>
Product (mixture): D11646<US>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
  Disease
Acne vulgaris [DS:H01445]
Listeriosis [DS:H00332]
Pertussis [DS:H00319]
Diphtheria [DS:H00343]
Amebiasis [DS:H00360]
Syphilis [DS:H00354]
Legionnaires' disease [DS:H00311]
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
Biosynthesis
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
Structure map
map07020  Macrolides and ketolides
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AF Antiinfectives for treatment of acne
     D10AF02 Erythromycin
      D00140  Erythromycin (JP18/USP/INN) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA01 Erythromycin
      D00140  Erythromycin (JP18/USP/INN) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA17 Erythromycin
      D00140  Erythromycin (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Macrolides
   Erythromycin
    D00140  Erythromycin (JP18/USP/INN)
 Dermatological Agents
  Topical Anti-infectives
   Antibacterials, dermatological
    Erythromycin
     D00140  Erythromycin (JP18/USP/INN)
 Ophthalmic Agents
  Ophthalmic Anti-Infectives
   Antibacterials, Ophthalmic
    Erythromycin
     D00140  Erythromycin (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   614  Acting mainly on gram-positive bacteria and mycoplasma
    6141  Erythromycins
     D00140  Erythromycin (JP18/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01874  14-membered ring macrolide antibiotic
    DG00436  Erythromycin
     D00140  Erythromycin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00436  Erythromycin
    D00140  Erythromycin
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00436  Erythromycin
    D00140  Erythromycin
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00436  Erythromycin
    D00140  Erythromycin
Drug classes [BR:br08332]
 Antibacterial
  DG01551  Macrolide antibiotic
   D00140  Erythromycin
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D00140  Erythromycin (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00140  Erythromycin
  D00140  Erythromycin enteric-coated tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00140
 Drug transporters
  D00140
Prodrugs [br08324.html]
 D00140
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01874  14-membered ring macrolide antibiotic
    DG00436  Erythromycin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00436  Erythromycin
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00436  Erythromycin
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00436  Erythromycin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    DG00436  Erythromycin
Other DBs
CAS: 114-07-8
PubChem: 7847208
ChEBI: 42355
PDB-CCD: ERY[PDBj]
LigandBox: D00140
NIKKAJI: J2.892D
LinkDB
KCF data

ATOM        51
            1   C1y C    29.5344  -13.7288
            2   C1z C    29.5344  -12.3594
            3   C1y C    28.3449  -14.4078
            4   O2a O    31.5246  -14.4484
            5   C1x C    28.3449  -11.6747
            6   O1a O    30.5672  -11.3672
            7   C1a C    30.8225  -12.7945
            8   C1y C    28.3449  -15.7772
            9   C1a C    27.3697  -13.3814
            10  C1y C    33.1096  -13.7303
            11  C1y C    28.3449  -10.2995
            12  O2a O    29.0876  -17.1408
            13  C1y C    27.1669  -16.4620
            14  C1y C    34.2830  -14.4247
            15  O2x O    33.1216  -12.3614
            16  C5x C    27.1669   -9.6205
            17  C1a C    29.5344   -9.6205
            18  C1y C    30.6105  -17.5606
            19  C7x C    25.9774  -15.7772
            20  C1a C    27.1669  -17.8312
            21  C1y C    35.4739  -13.7601
            22  O1a O    34.2739  -15.7986
            23  C1y C    34.3175  -11.6941
            24  C1y C    25.9774  -10.2995
            25  O5x O    27.1669   -8.2511
            26  C1x C    30.6105  -18.9243
            27  O2x O    31.8001  -16.8760
            28  O7x O    25.9774  -14.4078
            29  O6a O    24.9155  -16.7288
            30  C1x C    35.4884  -12.3963
            31  N1c N    36.6522  -14.4516
            32  C1a C    34.3373  -10.3274
            33  C1y C    25.9774  -11.6747
            34  C1a C    24.7937   -9.6205
            35  C1z C    31.8001  -19.6148
            36  C1y C    32.9779  -17.5606
            37  C1y C    24.7937  -13.7288
            38  C1z C    24.7937  -12.3594
            39  O1a O    27.1669  -12.3594
            40  C1y C    32.9779  -18.9243
            41  O2a O    31.8001  -20.9437
            42  C1a C    33.2507  -20.6013
            43  C1a C    34.1675  -16.8818
            44  C1b C    23.6099  -14.4078
            45  C1a C    23.5404  -12.9279
            46  O1a O    23.5404  -11.6690
            47  O1a O    34.1675  -19.6148
            48  C1a C    32.9026  -21.9069
            49  C1a C    23.5747  -15.5334
            50  C1a C    37.9042  -13.7409
            51  C1a C    36.7130  -15.8195
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9    10   4 1 #Down
            10    5  11 1
            11    8  12 1 #Down
            12    8  13 1
            13   10  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   18  12 1 #Down
            18   13  19 1
            19   13  20 1 #Up
            20   14  21 1
            21   14  22 1 #Up
            22   15  23 1
            23   16  24 1
            24   16  25 2
            25   18  26 1
            26   18  27 1
            27   19  28 1
            28   19  29 2
            29   21  30 1
            30   21  31 1 #Down
            31   23  32 1 #Down
            32   24  33 1
            33   24  34 1 #Up
            34   26  35 1
            35   27  36 1
            36   28  37 1
            37   33  38 1
            38   33  39 1 #Up
            39   35  40 1
            40   35  41 1 #Down
            41   35  42 1
            42   36  43 1 #Up
            43   37  44 1 #Down
            44   38  45 1 #Down
            45   38  46 1 #Up
            46   40  47 1 #Down
            47   41  48 1
            48   44  49 1
            49   23  30 1
            50   36  40 1
            51   37  38 1
            52   31  50 1
            53   31  51 1

» Japanese version   » Back

KEGG   DRUG: Cyclosporine
Entry
D00184                      Drug                                   
Name
Cyclosporine (USP);
Ciclosporin (JP18);
Gengraf (TN);
Neoral (TN);
Restasis (TN);
Sandimmune (TN)
Product
CEQUA (Sun Pharmaceutical Industries), NEORAL (Novartis Pharmaceuticals Corporation), RESTASIS (Allergan), RESTASIS MULTIDOSE (Allergan), SANDIMMUNE (Novartis Pharmaceuticals Corporation), VERKAZIA (Santen Incorporated), VEVYE (Harrow Eye)
  Generic
CYCLOSPORINE (American Health Packaging), CYCLOSPORINE (Apotex Corp), CYCLOSPORINE (Apotex Corp.), CYCLOSPORINE (Bryant Ranch Prepack), CYCLOSPORINE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), CYCLOSPORINE (KVK-TECH), CYCLOSPORINE (Lupin Pharmaceuticals), CYCLOSPORINE (Mayne Pharma), CYCLOSPORINE (Mylan Pharmaceuticals), CYCLOSPORINE (Padagis US LLC), CYCLOSPORINE (Strides Pharma Science Limited), CYCLOSPORINE (Teva Pharmaceuticals USA), CYCLOSPORINE (Teva Pharmaceuticals USA), CYCLOSPORINE, MODFIED (Apotex Corp.), GENGRAF (AbbVie), GENGRAF (AbbVie)
Formula
C62H111N11O12
Exact mass
1201.8414
Mol weight
1202.6112
Structure
Simcomp
Sequence
0 D-Ala  1 Leu  2 Leu  3 Val  4 Thr  5 Abu  6 Sar  7 Leu  8 Val
9 Leu  10 Ala  (Cyclization: 0-10)
  Type
NRP
Source
Cylindrocarpon lucidum [TAX:301100], Tolypocladium inflatum [TAX:29910]
Class
Immunological agent
 DG03129  Calcineurin inhibitor
Dermatological agent
 DG03243  Atopic dermatitis agent
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Same as: C05086
Therapeutic category: 1319 3999
ATC code: L04AD01 S01XA18
Product: D00184<JP/US>
Efficacy
Immunosuppressant, Calcineurin inhibitor
  Disease
Keratoconjunctivitis sicca [DS:H01641]
Organ rejection in kidney, liver, and heart allogeneic transplants [DS:H00083]
Rheumatoid arthritis [DS:H00630]
Psoriasis [DS:H01656]
Comment
Complex Ciclosporin and cyclophilin inhibit calcineurin.
Target
PPP3C/PPP3R/CHP [HSA:5530 5532 5533 5534 5535 11261 63928] [KO:K04348 K06268 K17610 K17611]
  Pathway
hsa04010  MAPK signaling pathway
hsa04218  Cellular senescence
hsa04380  Osteoclast differentiation
hsa04650  Natural killer cell mediated cytotoxicity
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
hsa04660  T cell receptor signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07046  Immunosuppressive agents
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AD Calcineurin inhibitors
     L04AD01 Ciclosporin
      D00184  Cyclosporine (USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA18 Ciclosporin
      D00184  Cyclosporine (USP) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Immunosuppressants
   Calcineurin Inhibitors
    Cyclosporine
     D00184  Cyclosporine (USP)
 Ophthalmic Agents
  Ophthalmic Agents, Other
   Cyclosporine
    D00184  Cyclosporine (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D00184  Cyclosporine (USP); Ciclosporin (JP18)
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D00184  Cyclosporine (USP); Ciclosporin (JP18)
Drug groups [BR:br08330]
 Immunological agent
  DG03129  Calcineurin inhibitor
   D00184  Cyclosporine
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D00184  Cyclosporine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00184  Cyclosporine
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D00184  Cyclosporine
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D00184  Cyclosporine
Drug classes [BR:br08332]
 Immunological agent
  DG03129  Calcineurin inhibitor
   D00184  Cyclosporine
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D00184  Cyclosporine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphatases
    PPP3C/PPP3R/CHP
     D00184  Cyclosporine (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00184  Ciclosporin
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00184
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00184
 Drug transporters
  D00184
Other DBs
CAS: 59865-13-3
PubChem: 7847252
ChEBI: 4031
LigandBox: D00184
NIKKAJI: J34.321H
LinkDB
KCF data

ATOM        85
            1   C1c C    28.1636  -12.7243
            2   N1c N    27.0718  -13.3558
            3   C5a C    29.2552  -13.3558
            4   C1c C    28.1636  -11.4670
            5   C5a C    25.9801  -12.7243
            6   C1a C    27.0718  -14.6131
            7   N1b N    30.3469  -12.7243
            8   O5a O    29.2552  -14.6131
            9   C1c C    29.2552  -10.8353
            10  O1a O    27.0718  -10.8353
            11  C1c C    24.8884  -13.3558
            12  O5a O    25.9801  -11.4670
            13  C1c C    31.4386  -13.3558
            14  C1a C    30.3469  -11.4670
            15  N1c N    23.7969  -12.7243
            16  C1c C    24.9524  -15.0494
            17  C5a C    32.5303  -12.7243
            18  C1b C    31.4386  -14.6131
            19  C5a C    22.7052  -13.3558
            20  C1a C    23.7969  -11.4670
            21  C1a C    23.8607  -15.6811
            22  C1a C    26.0440  -15.6811
            23  N1c N    33.6219  -13.3558
            24  O5a O    32.5303  -11.4670
            25  C1c C    21.6136  -12.7243
            26  O5a O    22.7052  -14.6131
            27  C1b C    33.6219  -14.6131
            28  C1a C    34.7137  -12.7243
            29  N1c N    20.5219  -13.3558
            30  C1b C    21.6136  -11.4670
            31  C5a C    34.7137  -15.2449
            32  C5a C    20.5219  -16.7532
            33  C1a C    19.2584  -13.3558
            34  C1c C    20.5219  -10.8353
            35  N1c N    34.7075  -16.8653
            36  O5a O    35.8054  -14.6131
            37  C1c C    19.4302  -18.5750
            38  C1a C    20.5219   -9.5720
            39  C1a C    19.4302  -11.4670
            40  C1c C    34.7137  -19.8322
            41  C1a C    35.9525  -16.8677
            42  N1c N    19.4302  -19.8322
            43  C1b C    18.3385  -17.9432
            44  C5a C    33.6219  -20.4640
            45  C1b C    35.8054  -20.4640
            46  C5a C    20.5219  -20.4640
            47  C1a C    18.3385  -20.4640
            48  C1c C    17.2468  -18.5750
            49  N1b N    32.5303  -19.8322
            50  O5a O    33.6219  -21.7213
            51  C1c C    36.8971  -19.8322
            52  C1c C    21.6136  -19.8322
            53  O5a O    20.5219  -21.7213
            54  C1a C    16.1552  -17.9432
            55  C1c C    31.4386  -20.4640
            56  C1a C    37.9888  -20.4640
            57  C1a C    36.8971  -18.5750
            58  N1b N    22.7052  -20.4640
            59  C1a C    21.6136  -18.6450
            60  C5a C    30.3469  -19.8322
            61  C1c C    31.4631  -22.1013
            62  C5a C    23.7969  -19.8322
            63  N1c N    29.2552  -20.4640
            64  O5a O    30.3469  -18.5750
            65  C1a C    30.2978  -23.0643
            66  C1a C    32.5731  -22.9662
            67  C1c C    24.8884  -20.4640
            68  O5a O    23.7969  -18.5750
            69  C1c C    28.1636  -19.8322
            70  C1a C    29.2552  -21.7213
            71  N1b N    25.9801  -19.8322
            72  C1a C    24.8884  -21.7213
            73  C5a C    27.0718  -20.4640
            74  C1b C    28.1636  -17.4739
            75  O5a O    27.0718  -21.7213
            76  C1c C    29.2552  -16.8421
            77  C1a C    29.2492  -15.5788
            78  C1a C    30.3469  -17.4678
            79  C1a C    32.6521  -15.3129
            80  C1a C    17.2463  -19.9498
            81  O5a O    21.7154  -17.4420
            82  C1b C    29.2552   -9.4500
            83  C2b C    30.4713   -8.7480
            84  C2b C    31.6685   -9.4394
            85  C1a C    32.8550   -8.7544
BOND        85
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   11  16 1
            16   13  17 1
            17   13  18 1
            18   15  19 1
            19   15  20 1
            20   16  21 1
            21   16  22 1
            22   17  23 1
            23   17  24 2
            24   19  25 1
            25   19  26 2
            26   23  27 1
            27   23  28 1
            28   25  29 1
            29   25  30 1
            30   27  31 1
            31   29  32 1
            32   29  33 1
            33   30  34 1
            34   31  35 1
            35   31  36 2
            36   34  38 1
            37   34  39 1
            38   35  40 1
            39   35  41 1
            40   37  42 1
            41   37  43 1
            42   40  44 1
            43   40  45 1
            44   42  46 1
            45   42  47 1
            46   43  48 1
            47   44  49 1
            48   44  50 2
            49   45  51 1
            50   46  52 1
            51   46  53 2
            52   48  54 1
            53   49  55 1
            54   51  56 1
            55   51  57 1
            56   52  58 1
            57   52  59 1
            58   55  60 1
            59   55  61 1
            60   58  62 1
            61   60  63 1
            62   60  64 2
            63   61  65 1
            64   61  66 1
            65   62  67 1
            66   62  68 2
            67   63  69 1
            68   63  70 1
            69   67  71 1
            70   67  72 1
            71   69  73 1
            72   69  74 1
            73   73  75 2
            74   74  76 1
            75   76  77 1
            76   76  78 1
            77   71  73 1
            78   18  79 1
            79   48  80 1
            80   32  81 2
            81   37  32 1
            82    9  82 1
            83   82  83 1
            84   83  84 2
            85   84  85 1

» Japanese version   » Back

KEGG   DRUG: Ciprofloxacin
Entry
D00186                      Drug                                   
Name
Ciprofloxacin (JP18/USP/INN);
Cipro (TN);
Otiprio (TN)
Product
  Generic
CIPROFLOXACIN (Baxter Healthcare Corporation), CIPROFLOXACIN (Baxter Healthcare Corporation), CIPROFLOXACIN (Sagent Pharmaceuticals), CIPROFLOXACIN (Sagent Pharmaceuticals), CIPROFLOXACIN IN DEXTROSE (Hospira)
Formula
C17H18FN3O3
Exact mass
331.1332
Mol weight
331.3415
Structure
Simcomp
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Metabolizing enzyme inhibitor
 DG01634  CYP1A2 inhibitor
Remark
Same as: C05349
Therapeutic category: 6241
ATC code: J01MA02 S01AE03 S02AA15 S03AA07
Chemical structure group: DG00617
Product (DG00617): D00186<JP/US> D02216<JP/US>
Efficacy
Antibacterial, Nucleic acid biosynthesis inhibitor
  Disease
Inhalational anthrax [DS:H00328]
Plague [DS:H00297]
Target
DNA gyrase [KO:K02469 K02470]
Interaction
CYP inhibition: CYP1A2 [HSA:1544]
Structure map
map07014  Quinolones
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA02 Ciprofloxacin
      D00186  Ciprofloxacin (JP18/USP/INN) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AE Fluoroquinolones
     S01AE03 Ciprofloxacin
      D00186  Ciprofloxacin (JP18/USP/INN) <JP/US>
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA15 Ciprofloxacin
      D00186  Ciprofloxacin (JP18/USP/INN) <JP/US>
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA07 Ciprofloxacin
      D00186  Ciprofloxacin (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Quinolones
   Ciprofloxacin
    D00186  Ciprofloxacin (JP18/USP/INN)
 Ophthalmic Agents
  Ophthalmic Anti-Infectives
   Antibacterials, Ophthalmic
    Ciprofloxacin
     D00186  Ciprofloxacin (JP18/USP/INN)
 Otic Agents
  Otic Anti-Infectives
   Ciprofloxacin
    D00186  Ciprofloxacin (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   624  Synthetic antibacterials
    6241  Pyridonecarboxylic acids
     D00186  Ciprofloxacin (JP18/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00617  Ciprofloxacin
     D00186  Ciprofloxacin
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   DG00617  Ciprofloxacin
    D00186  Ciprofloxacin
Drug classes [BR:br08332]
 Antibacterial
  DG01549  Fluoroquinolone
   D00186  Ciprofloxacin
Antimicrobials [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Fluoroquinolone
    D00186  Ciprofloxacin (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00186  Ciprofloxacin
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00186
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00617  Ciprofloxacin
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   DG00617  Ciprofloxacin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Fluoroquinolone
    DG00617  Ciprofloxacin
Other DBs
CAS: 85721-33-1
PubChem: 7847254
ChEBI: 100241
PDB-CCD: CPF[PDBj]
LigandBox: D00186
NIKKAJI: J21.732H
LinkDB
KCF data

ATOM        24
            1   C8y C    19.6700   -6.0900
            2   C8y C    19.6700   -7.4900
            3   C8x C    20.8600   -8.1900
            4   C8y C    22.1200   -7.4900
            5   C8y C    22.1200   -6.0900
            6   C8x C    20.8600   -5.3900
            7   N4y N    23.3100   -8.1900
            8   C8x C    24.5000   -7.4900
            9   C8y C    24.5000   -6.0900
            10  C8y C    23.3100   -5.3900
            11  N1y N    18.4800   -8.1900
            12  C1x C    17.2900   -7.4900
            13  C1x C    16.0300   -8.1900
            14  N1x N    16.0300   -9.5900
            15  C1x C    17.2200  -10.2900
            16  C1x C    18.4800   -9.5900
            17  X   F    18.4800   -5.3900
            18  O5x O    23.3100   -3.9900
            19  C6a C    25.6900   -5.3900
            20  O6a O    26.8800   -6.0900
            21  O6a O    25.6900   -3.9900
            22  C1y C    23.3100   -9.5900
            23  C1x C    24.0100  -10.7800
            24  C1x C    22.6100  -10.7800
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    2  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19    1  17 1
            20   10  18 2
            21    9  19 1
            22   19  20 1
            23   19  21 2
            24    7  22 1
            25   22  23 1
            26   22  24 1
            27   23  24 1

» Japanese version   » Back

KEGG   DRUG: Norfloxacin
Entry
D00210                      Drug                                   
Name
Norfloxacin (JP18/USP/INN);
Noroxin (TN)
Formula
C16H18FN3O3
Exact mass
319.1332
Mol weight
319.3308
Structure
Simcomp
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
Metabolizing enzyme inhibitor
 DG01634  CYP1A2 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Remark
Same as: C06687
Therapeutic category: 1319 6241
ATC code: J01MA06 S01AE02
Chemical structure group: DG00620
Product (DG00620): D00210<JP>
Efficacy
Antibacterial, Nucleic acid biosynthesis inhibitor
Target
DNA gyrase [KO:K02469 K02470]
Metabolism
Enzyme: CYP1A2 [HSA:1544]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551], CYP1A2 [HSA:1544]
Structure map
map07014  Quinolones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA06 Norfloxacin
      D00210  Norfloxacin (JP18/USP/INN) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AE Fluoroquinolones
     S01AE02 Norfloxacin
      D00210  Norfloxacin (JP18/USP/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D00210  Norfloxacin (JP18/USP/INN)
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   624  Synthetic antibacterials
    6241  Pyridonecarboxylic acids
     D00210  Norfloxacin (JP18/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00620  Norfloxacin
     D00210  Norfloxacin
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00620  Norfloxacin
    D00210  Norfloxacin
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   DG00620  Norfloxacin
    D00210  Norfloxacin
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00620  Norfloxacin
    D00210  Norfloxacin
Drug classes [BR:br08332]
 Antibacterial
  DG01549  Fluoroquinolone
   D00210  Norfloxacin
Antimicrobials [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Fluoroquinolone
    D00210  Norfloxacin (JP18/USP/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00210  Norfloxacin
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00210
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00620  Norfloxacin
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00620  Norfloxacin
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   DG00620  Norfloxacin
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00620  Norfloxacin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Fluoroquinolone
    DG00620  Norfloxacin
Other DBs
CAS: 70458-96-7
PubChem: 7847277
ChEBI: 100246
LigandBox: D00210
NIKKAJI: J1.144D
LinkDB
KCF data

ATOM        23
            1   C8y C    22.6983  -16.5436
            2   C8y C    22.6983  -15.1538
            3   N4y N    23.9247  -17.2386
            4   C8x C    21.4721  -17.2386
            5   C8y C    23.9247  -14.4530
            6   C8x C    21.4721  -14.4530
            7   C8x C    25.1509  -16.5436
            8   C1b C    23.9188  -18.6458
            9   C8y C    20.2516  -16.5436
            10  C8y C    25.1509  -15.1538
            11  O5x O    23.9188  -13.0399
            12  C8y C    20.2516  -15.1538
            13  C1a C    22.7042  -19.3349
            14  N1y N    19.0428  -17.2210
            15  C6a C    26.3654  -14.4414
            16  X   F    19.0428  -14.4707
            17  C1x C    17.8398  -16.5202
            18  C1x C    19.0428  -18.6050
            19  O6a O    27.5859  -15.1421
            20  O6a O    26.3597  -13.0283
            21  C1x C    16.6370  -17.2210
            22  C1x C    17.8457  -19.2998
            23  N1x N    16.6370  -18.6108
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    8  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 2
            20   17  21 1
            21   18  22 1
            22   21  23 1
            23    7  10 2
            24    9  12 1
            25   22  23 1

» Japanese version   » Back

KEGG   DRUG: Alprazolam
Entry
D00225                      Drug                                   
Name
Alprazolam (JP18/USP/INN);
Xanax (TN)
Product
XANAX (PHARMACIA & UPJOHN COMPANY LLC), XANAX (PHARMACIA & UPJOHN COMPANY LLC)
  Generic
ALPRAZOLAM (A-S Medication Solutions), ALPRAZOLAM (A-S Medication Solutions), ALPRAZOLAM (A-S Medication Solutions), ALPRAZOLAM (A-S Medication Solutions), ALPRAZOLAM (A-S Medication Solutions), ALPRAZOLAM (A-S Medication Solutions), ALPRAZOLAM (ANI Pharmaceuticals), ALPRAZOLAM (Actavis Pharma), ALPRAZOLAM (Actavis Pharma), ALPRAZOLAM (Actavis Pharma), ALPRAZOLAM (Advanced Rx Pharmacy of Tennessee), ALPRAZOLAM (Advanced Rx Pharmacy of Tennessee), ALPRAZOLAM (Advanced Rx Pharmacy of Tennessee), ALPRAZOLAM (Advanced Rx Pharmacy of Tennessee), ALPRAZOLAM (Advanced Rx Pharmacy of Tennessee), ALPRAZOLAM (American Health Packaging), ALPRAZOLAM (Amneal Pharmaceuticals LLC), ALPRAZOLAM (Aphena Pharma Solutions - Tennessee), ALPRAZOLAM (Aphena Pharma Solutions - Tennessee), ALPRAZOLAM (Aphena Pharma Solutions - Tennessee), ALPRAZOLAM (Aphena Pharma Solutions - Tennessee), ALPRAZOLAM (Aphena Pharma Solutions - Tennessee), ALPRAZOLAM (Asclemed USA), ALPRAZOLAM (Asclemed USA), ALPRAZOLAM (Aurobindo Pharma Limited), ALPRAZOLAM (Aurobindo Pharma Limited), ALPRAZOLAM (Breckenridge Pharmaceutical), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Bryant Ranch Prepack), ALPRAZOLAM (Direct Rx), ALPRAZOLAM (Direct Rx), ALPRAZOLAM (Direct_Rx), ALPRAZOLAM (Greenstone LLC), ALPRAZOLAM (Greenstone LLC), ALPRAZOLAM (Hikma Pharmaceuticals USA), ALPRAZOLAM (Medsource Pharmaceuticals), ALPRAZOLAM (Medsource Pharmaceuticals), ALPRAZOLAM (Natco Pharma USA LLC), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (NuCare Pharmaceuticals), ALPRAZOLAM (PD-Rx Pharmaceuticals), ALPRAZOLAM (PD-Rx Pharmaceuticals), ALPRAZOLAM (PD-Rx Pharmaceuticals), ALPRAZOLAM (PD-Rx Pharmaceuticals), ALPRAZOLAM (PD-Rx Pharmaceuticals), ALPRAZOLAM (PD-Rx Pharmaceuticals), ALPRAZOLAM (PD-Rx Pharmaceuticals), ALPRAZOLAM (Par Pharmaceutical), ALPRAZOLAM (Preferred Pharmaceuticals), ALPRAZOLAM (Preferred Pharmaceuticals), ALPRAZOLAM (Preferred Pharmaceuticals), ALPRAZOLAM (Preferred Pharmaceuticals), ALPRAZOLAM (Preferred Pharmaceuticals), ALPRAZOLAM (Preferred Pharmaceuticals), ALPRAZOLAM (PreferredPharmaceuticals), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Proficient Rx LP), ALPRAZOLAM (Quality Care Products), ALPRAZOLAM (Quality Care Products), ALPRAZOLAM (REMEDYREPACK), ALPRAZOLAM (REMEDYREPACK), ALPRAZOLAM (REMEDYREPACK), ALPRAZOLAM (REMEDYREPACK), ALPRAZOLAM (RPK Pharmaceuticals), ALPRAZOLAM (RPK Pharmaceuticals), ALPRAZOLAM (RPK Pharmaceuticals), ALPRAZOLAM (RPK Pharmaceuticals), ALPRAZOLAM (RedPharm Drug), ALPRAZOLAM (ST. MARY'S MEDICAL PARK PHARMACY), ALPRAZOLAM (Sandoz), ALPRAZOLAM (St. Mary's Medical Park Pharmacy), ALPRAZOLAM (medsource pharmaceuticals), ALPRAZOLAM (medsource pharmaceuticals), ALPRAZOLAM C-IV (Direct_Rx), ALPRAZOLAM C-IV (Direct_Rx)
Formula
C17H13ClN4
Exact mass
308.0829
Mol weight
308.7649
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01567  GABA-A receptor agonist
 DG01914  Anxiolytics, benzodiazepine derivatives
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Same as: C06817
Therapeutic category: 1124
ATC code: N05BA12
Product: D00225<JP/US>
Efficacy
Antianxiety, Minor tranquilizer, Sedative-hypnotic
  Disease
Generalized anxiety disorder [DS:H01662]
Panic disorder [DS:H01664]
Comment
Benzodiazepine derivative
Target
GABR [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05181 K05184 K05185 K05186 K05189 K05192]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Structure map
map07030  Anxiolytics
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BA Benzodiazepine derivatives
     N05BA12 Alprazolam
      D00225  Alprazolam (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Anxiolytics
  Benzodiazepines
   Alprazolam
    D00225  Alprazolam (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   112  Hypnotics and sedatives, anxiolytics
    1124  Benzodiazepins
     D00225  Alprazolam (JP18/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01567  GABA-A receptor agonist
   D00225  Alprazolam
  DG01914  Anxiolytics, benzodiazepine derivatives
   D00225  Alprazolam
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D00225  Alprazolam
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00225  Alprazolam (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00225  Alprazolam
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00225
Narcotics and psychotropics in Japan [br08308.html]
 Psychotropics by Cabinet order Article 3 (78 substances)
  D00225
Other DBs
CAS: 28981-97-7
PubChem: 7847292
ChEBI: 2611
PDB-CCD: 08H[PDBj]
LigandBox: D00225
NIKKAJI: J9.279G
LinkDB
KCF data

ATOM        22
            1   C2y C    11.2028  -17.3488
            2   C8y C    10.3478  -16.2505
            3   C8y C    10.6659  -14.8908
            4   N4y N    11.9188  -14.2978
            5   N2x N    12.6076  -17.3566
            6   C8y C    13.1789  -14.9040
            7   C1x C    13.4820  -16.2680
            8   C8x C     9.6478  -13.9358
            9   C8x C     8.3118  -14.3400
            10  C8y C     7.9936  -15.6997
            11  C8x C     9.0117  -16.6546
            12  C8y C    10.5740  -18.6251
            13  C8x C     9.1513  -18.6484
            14  C8x C     8.5338  -19.9703
            15  C8x C     9.3094  -21.1309
            16  C8x C    10.7341  -21.1074
            17  C8x C    11.3495  -19.7858
            18  N5x N    14.1449  -13.8929
            19  N5x N    13.4818  -12.6617
            20  C8y C    12.1059  -12.9119
            21  C1a C    11.0956  -11.9466
            22  X   Cl    6.6468  -16.1072
BOND        25
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    1  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20    6  18 2
            21   18  19 1
            22   19  20 2
            23    4  20 1
            24   20  21 1
            25   10  22 1

» Japanese version   » Back

KEGG   DRUG: Clarithromycin
Entry
D00276                      Drug                                   
Name
Clarithromycin (JP18/USP/INN);
Biaxin (TN)
Product
  Generic
CLARITHROMYCIN (A-S Medication Solutions), CLARITHROMYCIN (A-S Medication Solutions), CLARITHROMYCIN (A-S Medication Solutions), CLARITHROMYCIN (A-S Medication Solutions), CLARITHROMYCIN (A-S Medication Solutions), CLARITHROMYCIN (Actavis Pharma), CLARITHROMYCIN (Ajanta Pharma USA), CLARITHROMYCIN (Alembic Pharmaceuticals Limited), CLARITHROMYCIN (Alembic Pharmaceuticals), CLARITHROMYCIN (American Health Packaging), CLARITHROMYCIN (Asclemed USA), CLARITHROMYCIN (Aurobindo Pharma Limited), CLARITHROMYCIN (AvPAK), CLARITHROMYCIN (Bryant Ranch Prepack), CLARITHROMYCIN (Bryant Ranch Prepack), CLARITHROMYCIN (Chartwell RX), CLARITHROMYCIN (DirectRX), CLARITHROMYCIN (DirectRx), CLARITHROMYCIN (Direct_Rx), CLARITHROMYCIN (Lannett Company), CLARITHROMYCIN (Lannett Company), CLARITHROMYCIN (Major Pharmaceuticals), CLARITHROMYCIN (Northwind Pharmaceuticals), CLARITHROMYCIN (NuCare Pharmaceuticals), CLARITHROMYCIN (NuCare Pharmaceuticals), CLARITHROMYCIN (NuCare Pharmaceuticals), CLARITHROMYCIN (PD-Rx Pharmaceuticals), CLARITHROMYCIN (PD-Rx Pharmaceuticals), CLARITHROMYCIN (PD-Rx Pharmaceuticals), CLARITHROMYCIN (PD-Rx Pharmaceuticals), CLARITHROMYCIN (Preferred Pharmaceuticals), CLARITHROMYCIN (Preferred Pharmaceuticals), CLARITHROMYCIN (Proficient Rx LP), CLARITHROMYCIN (Proficient Rx LP), CLARITHROMYCIN (Proficient Rx LP), CLARITHROMYCIN (REMEDYREPACK), CLARITHROMYCIN (REMEDYREPACK), CLARITHROMYCIN (REMEDYREPACK), CLARITHROMYCIN (RPK Pharmaceuticals), CLARITHROMYCIN (RPK Pharmaceuticals), CLARITHROMYCIN (Rising Pharma Holdings), CLARITHROMYCIN (Sandoz), CLARITHROMYCIN (Sandoz), CLARITHROMYCIN (Strides Pharma Science Limited)
Formula
C38H69NO13
Exact mass
747.4769
Mol weight
747.9534
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01874  14-membered ring macrolide antibiotic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Same as: C06912
Therapeutic category: 6149
ATC code: J01FA09
Chemical structure group: DG00605
Product (DG00605): D00276<JP/US>
Product (mixture): D08774<US> D10246<US> D10519<JP> D10775<JP>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
  Disease
Pharyngitis/tonsillitis [DS:H01424]
Helicobacter pylori infection [DS:H00320]
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07020  Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA09 Clarithromycin
      D00276  Clarithromycin (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Macrolides
   Clarithromycin
    D00276  Clarithromycin (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   614  Acting mainly on gram-positive bacteria and mycoplasma
    6149  Others
     D00276  Clarithromycin (JP18/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01874  14-membered ring macrolide antibiotic
    DG00605  Clarithromycin
     D00276  Clarithromycin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00605  Clarithromycin
     D00276  Clarithromycin
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00605  Clarithromycin
     D00276  Clarithromycin
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00605  Clarithromycin
    D00276  Clarithromycin
Drug classes [BR:br08332]
 Antibacterial
  DG01551  Macrolide antibiotic
   D00276  Clarithromycin
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D00276  Clarithromycin (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00276  Clarithromycin
  D00276  Clarithromycin tablets
  D00276  Clarithromycin for syrup
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00276
 Drug transporters
  D00276
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01874  14-membered ring macrolide antibiotic
    DG00605  Clarithromycin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00605  Clarithromycin
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00605  Clarithromycin
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00605  Clarithromycin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    DG00605  Clarithromycin
Other DBs
CAS: 81103-11-9
PubChem: 7847342
ChEBI: 3732
PDB-CCD: CTY[PDBj]
LigandBox: D00276
NIKKAJI: J134.033F
LinkDB
KCF data

ATOM        52
            1   C1y C    24.1709  -17.2043
            2   C1z C    24.1709  -15.8400
            3   C1y C    22.9859  -17.8807
            4   O2a O    25.6666  -18.4812
            5   C1x C    22.9859  -15.1580
            6   C1y C    22.9859  -19.2450
            7   C1a C    21.9450  -16.9275
            8   C1y C    27.4458  -17.6943
            9   C1y C    22.9859  -13.7880
            10  O2a O    23.7258  -20.6034
            11  C1y C    21.8123  -19.9272
            12  C1y C    28.5906  -18.4120
            13  O2x O    27.4113  -16.3303
            14  C5x C    21.8123  -13.1116
            15  C1a C    24.1709  -13.1116
            16  C1y C    24.7548  -21.7190
            17  C7x C    20.6273  -19.2450
            18  C1a C    21.8123  -21.2912
            19  C1y C    29.7920  -17.7775
            20  O1a O    28.5500  -19.7801
            21  C1y C    28.6878  -15.6932
            22  C1y C    20.6273  -13.7880
            23  O5x O    21.8123  -11.7473
            24  C1x C    24.7548  -23.0776
            25  O2x O    25.9398  -21.0369
            26  O7x O    20.6273  -17.8807
            27  O6a O    19.5695  -20.1930
            28  C1x C    29.8379  -16.4196
            29  C1a C    28.7389  -14.3326
            30  C1y C    20.6273  -15.1580
            31  C1a C    19.4481  -13.1116
            32  C1z C    25.9398  -23.7654
            33  C1y C    27.1133  -21.7190
            34  C1y C    19.4481  -17.2043
            35  C1z C    19.4481  -15.8400
            36  O1a O    21.8123  -15.8400
            37  C1y C    27.1133  -23.0776
            38  O2a O    25.9398  -25.0892
            39  C1a C    28.2983  -21.0428
            40  C1b C    18.2688  -17.8807
            41  C1a C    18.1995  -16.4066
            42  O1a O    18.1995  -15.1522
            43  O1a O    28.2983  -23.7654
            44  C1a C    18.3035  -19.0021
            45  C1a C    25.3593  -16.5254
            46  C1a C    27.1615  -25.7951
            47  C1a C    24.7273  -24.4654
            48  O2a O    24.8709  -14.6276
            49  C1a C    26.2709  -14.6276
            50  N1c N    30.9997  -18.5339
            51  C1a C    32.2377  -17.8772
            52  C1a C    31.0187  -19.9487
BOND        54
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     8   4 1 #Down
            8     5   9 1
            9     6  10 1 #Down
            10    6  11 1
            11    8  12 1
            12    8  13 1
            13    9  14 1
            14    9  15 1 #Down
            15   16  10 1 #Down
            16   11  17 1
            17   11  18 1 #Up
            18   12  19 1
            19   12  20 1 #Up
            20   13  21 1
            21   14  22 1
            22   14  23 2
            23   16  24 1
            24   16  25 1
            25   17  26 1
            26   17  27 2
            27   19  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   22  31 1 #Up
            31   24  32 1
            32   25  33 1
            33   26  34 1
            34   30  35 1
            35   30  36 1 #Up
            36   32  37 1
            37   32  38 1 #Down
            38   33  39 1 #Up
            39   34  40 1 #Down
            40   35  41 1 #Down
            41   35  42 1 #Up
            42   37  43 1 #Down
            43   40  44 1
            44   21  28 1
            45   33  37 1
            46   34  35 1
            47    2  45 1 #Down
            48   38  46 1
            49   32  47 1
            50    2  48 1 #Up
            51   48  49 1
            52   19  50 1 #Down
            53   50  51 1
            54   50  52 1

» Japanese version   » Back

KEGG   DRUG: Cimetidine
Entry
D00295                      Drug                                   
Name
Cimetidine (JP18/USP/INN);
Tagamet (TN)
Product
  Generic
CIMETIDINE (A-S Medication Solutions), CIMETIDINE (A-S Medication Solutions), CIMETIDINE (Chartwell RX), CIMETIDINE (Denton Pharma), CIMETIDINE (Mylan Pharmaceuticals), CIMETIDINE (Northwind Pharmaceuticals), CIMETIDINE (PD-Rx Pharmaceuticals), CIMETIDINE (Proficient Rx LP), CIMETIDINE (RPK Pharmaceuticals), CIMETIDINE (Teva Pharmaceuticals USA)
Formula
C10H16N6S
Exact mass
252.1157
Mol weight
252.3392
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Remark
Same as: C06952
Therapeutic category: 2325
ATC code: A02BA01
Chemical structure group: DG00017
Product (DG00017): D00295<JP/US> D03503<US>
Efficacy
Anti-ulcerative, H2 receptor antagonist
  Disease
Duodenal ulcer [DS:H01634]
Gastric ulcer [DS:H01634]
Gastroesophageal reflux disease [DS:H01602]
Zollinger-Ellison syndrome [DS:H01522]
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Interaction
CYP inhibition: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Structure map
map07038  Antiulcer drugs
map07227  Histamine H2/H3 receptor agonists/antagonists
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BA H2-receptor antagonists
     A02BA01 Cimetidine
      D00295  Cimetidine (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Histamine2 (H2) Receptor Antagonists
   Cimetidine
    D00295  Cimetidine (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2325  H2 blockers
     D00295  Cimetidine (JP18/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  09 Histamine H2 receptor blocker containing drugs
   D00295  Cimetidine (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Cimetidine
    D00295  Cimetidine (JP18/USP/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00017  Cimetidine
     D00295  Cimetidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00017  Cimetidine
    D00295  Cimetidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00017  Cimetidine
     D00295  Cimetidine
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01481  Histamine receptor H2 antagonist
   D00295  Cimetidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D00295  Cimetidine (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00295  Cimetidine
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00295
Rx-to-OTC switch list in the USA [br08315.html]
 D00295
Rx-to-OTC switch list in Japan [br08314.html]
 D00295
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00017  Cimetidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00017  Cimetidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00017  Cimetidine
Other DBs
CAS: 51481-61-9
PubChem: 7847361
ChEBI: 3699
LigandBox: D00295
NIKKAJI: J3.190I
LinkDB
KCF data

ATOM        17
            1   C1b C    24.5609  -17.1206
            2   S2a S    25.7722  -16.4242
            3   C1b C    26.9833  -17.1206
            4   C1b C    28.1944  -16.4242
            5   N1b N    29.4055  -17.1206
            6   C2c C    30.6226  -16.4242
            7   N2b N    30.6226  -15.0201
            8   N1b N    31.8337  -17.1206
            9   C3b C    31.8337  -14.3237
            10  C1a C    33.0449  -16.4242
            11  N3a N    33.0598  -13.6286
            12  C8y C    23.3693  -16.4301
            13  N5x N    23.3693  -15.0301
            14  C8x C    22.0378  -14.5975
            15  N4x N    21.2149  -15.7301
            16  C8y C    22.0378  -16.8627
            17  C1a C    21.6042  -18.1971
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 3
            11    1  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   12  16 2
            17   16  17 1

» Japanese version   » Back

KEGG   DRUG: Fluconazole
Entry
D00322                      Drug                                   
Name
Fluconazole (JP18/USP/INN);
Diflucan (TN)
Product
DIFLUCAN (Roerig)
  Generic
FLUCONAZOLE (A-S Medication Solutions), FLUCONAZOLE (A-S Medication Solutions), FLUCONAZOLE (A-S Medication Solutions), FLUCONAZOLE (A-S Medication Solutions), FLUCONAZOLE (A-S Medication Solutions), FLUCONAZOLE (A-S Medication Solutions), FLUCONAZOLE (A-S Medication Solutions), FLUCONAZOLE (A-S Medication Solutions), FLUCONAZOLE (ANI Pharmaceuticals), FLUCONAZOLE (American Health Packaging), FLUCONAZOLE (Asclemed USA), FLUCONAZOLE (Asclemed USA), FLUCONAZOLE (Aurobindo Pharma Limited), FLUCONAZOLE (Aurobindo Pharma Limited), FLUCONAZOLE (AvPAK), FLUCONAZOLE (Baxter Healthcare Corporation), FLUCONAZOLE (BluePoint Laboratories), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Bryant Ranch Prepack), FLUCONAZOLE (Cardinal Health 107), FLUCONAZOLE (Chartwell RX), FLUCONAZOLE (Direct Rx), FLUCONAZOLE (Direct Rx), FLUCONAZOLE (Direct_Rx), FLUCONAZOLE (Dr. Reddy's Laboratories Limited), FLUCONAZOLE (Drug Ocean LLC), FLUCONAZOLE (Glenmark Pharmaceuticals), FLUCONAZOLE (Golden State Medical Supply), FLUCONAZOLE (Golden State Medical Supply), FLUCONAZOLE (Greenstone LLC), FLUCONAZOLE (Hainan Poly Pharm.), FLUCONAZOLE (Hikma Pharmaceuticals USA), FLUCONAZOLE (Major Pharmaceuticals), FLUCONAZOLE (McKesson Corporation DBA SKY Packaging), FLUCONAZOLE (NorthStar Rx LLC), FLUCONAZOLE (NorthStar Rx LLC), FLUCONAZOLE (Northwind Pharmaceuticals), FLUCONAZOLE (Northwind Pharmaceuticals), FLUCONAZOLE (Northwind Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (NuCare Pharmaceuticals), FLUCONAZOLE (PD-Rx Pharmaceuticals), FLUCONAZOLE (PD-Rx Pharmaceuticals), FLUCONAZOLE (PD-Rx Pharmaceuticals), FLUCONAZOLE (PD-Rx Pharmaceuticals), FLUCONAZOLE (Pharmasource Meds), FLUCONAZOLE (Pharmasource Meds), FLUCONAZOLE (Preferred Pharmaceuticals), FLUCONAZOLE (Preferred Pharmaceuticals), FLUCONAZOLE (Preferred Pharmaceuticals), FLUCONAZOLE (Preferred Pharmaceuticals), FLUCONAZOLE (Preferred Pharmaceuticals), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Proficient Rx LP), FLUCONAZOLE (Quality Care Products), FLUCONAZOLE (Quality Care Products), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (REMEDYREPACK), FLUCONAZOLE (RPK Pharmaceuticals), FLUCONAZOLE (RPK Pharmaceuticals), FLUCONAZOLE (Redpharm Drug), FLUCONAZOLE (Rising Pharma Holdings), FLUCONAZOLE (Rising Pharma Holdings), FLUCONAZOLE (ST. MARY'S MEDICAL PARK PHARMACY), FLUCONAZOLE (Sagent Pharmaceuticals), FLUCONAZOLE (Sagent Pharmaceuticals), FLUCONAZOLE (Slate Run Pharmaceuticals), FLUCONAZOLE (St Marys Medical Park Pharmacy), FLUCONAZOLE (St. Mary's Medical Park Pharmacy), FLUCONAZOLE (St. Mary's Medical Park Pharmacy), FLUCONAZOLE (Taro Pharmaceuticals U.S.A.), FLUCONAZOLE (Zydus Lifesciences Limited), FLUCONAZOLE (Zydus Pharmaceuticals (USA)), FLUCONAZOLE (direct rx), FLUCONAZOLE IN SODIUM CHLORIDE (Hospira), FLUCONAZOLE IN SODIUM CHLORIDE (Woodward Pharma Services LLC)
Formula
C13H12F2N6O
Exact mass
306.1041
Mol weight
306.2708
Structure
Simcomp
Class
Antifungal
 DG01523  Triazole antifungal
Metabolizing enzyme inhibitor
 DG01643  CYP2C9 inhibitor
 DG01933  CYP2C19 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Remark
Same as: C07002
Therapeutic category: 6290
ATC code: D01AC15 J02AC01
Chemical structure group: DG00371
Product (DG00371): D00322<JP/US> D01429<JP>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
  Disease
Candidiasis [DS:H00363]
Cryptococcal meningitis [DS:H00364]
Comment
Triazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
CYP inhibition: CYP2C19 [HSA:1557], CYP2C9 [HSA:1559], CYP3A4 [HSA:1576]
Structure map
map07026  Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC15 Fluconazole
      D00322  Fluconazole (JP18/USP/INN) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AC Triazole and tetrazole derivatives
     J02AC01 Fluconazole
      D00322  Fluconazole (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antifungals
  Fluconazole
   D00322  Fluconazole (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D00322  Fluconazole (JP18/USP/INN)
Drug groups [BR:br08330]
 Antifungal
  DG01523  Triazole antifungal
   DG00371  Fluconazole
    D00322  Fluconazole
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   DG00371  Fluconazole
    D00322  Fluconazole
  DG01933  CYP2C19 inhibitor
   DG00371  Fluconazole
    D00322  Fluconazole
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00371  Fluconazole
     D00322  Fluconazole
Drug classes [BR:br08332]
 Antifungal
  DG01523  Triazole antifungal
   D00322  Fluconazole
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    D00322  Fluconazole (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00322  Fluconazole
  D00322  Fluconazole capsules
  D00322  Fluconazole injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00322
Prodrugs [br08324.html]
 D00322
Drug groups [BR:br08330]
 Antifungal
  DG01523  Triazole antifungal
   DG00371  Fluconazole
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   DG00371  Fluconazole
  DG01933  CYP2C19 inhibitor
   DG00371  Fluconazole
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00371  Fluconazole
Antimicrobials abbreviations [BR:br08327]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    DG00371  Fluconazole
Prodrugs [br08324.html]
 DG00371
Other DBs
CAS: 86386-73-4
PubChem: 7847388
ChEBI: 46081
PDB-CCD: TPF[PDBj]
LigandBox: D00322
NIKKAJI: J23.677B
LinkDB
KCF data

ATOM        22
            1   C8y C    22.8550  -18.0489
            2   C1d C    22.8550  -20.3687
            3   C8y C    24.0266  -17.3670
            4   C8x C    21.6718  -17.3670
            5   C1b C    21.6777  -21.0508
            6   C1b C    24.0325  -21.0508
            7   O1a O    22.8550  -21.7269
            8   C8x C    24.0266  -16.0088
            9   X   F    25.2099  -18.0489
            10  C8x C    21.6718  -16.0088
            11  N4y N    20.4945  -20.3687
            12  N4y N    25.2158  -20.3630
            13  C8y C    22.8550  -15.3269
            14  C8x C    20.3604  -19.0164
            15  N5x N    19.2646  -20.9225
            16  C8x C    25.3439  -19.0224
            17  N5x N    26.4457  -20.9225
            18  X   F    22.8550  -13.9630
            19  N5x N    19.0315  -18.7367
            20  C8x C    18.3494  -19.9199
            21  N5x N    26.6730  -18.7309
            22  C8x C    27.3607  -19.9142
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 2
            13   11  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19   15  20 2
            20   16  21 2
            21   17  22 2
            22   10  13 1
            23   19  20 1
            24   21  22 1

» Japanese version   » Back

KEGG   DRUG: Fluoxetine
Entry
D00326                      Drug                                   
Name
Fluoxetine (USAN/INN);
Fluoxetine (TN)
Formula
C17H18F3NO
Exact mass
309.134
Mol weight
309.3261
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor (SSRI)
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG01644  CYP2D6 substrate
Metabolizing enzyme inhibitor
 DG01933  CYP2C19 inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
ATC code: N06AB03
Chemical structure group: DG00942
Product (DG00942): D00823<US>
Efficacy
Antidepressant, Selective serotonin reuptake inhibitor (SSRI)
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2C9 [HSA:1559], CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2C19 [HSA:1557], CYP2D6 [HSA:1565], CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AB Selective serotonin reuptake inhibitors
     N06AB03 Fluoxetine
      D00326  Fluoxetine (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00942  Fluoxetine
    D00326  Fluoxetine
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00942  Fluoxetine
    D00326  Fluoxetine
  DG01644  CYP2D6 substrate
   DG00942  Fluoxetine
    D00326  Fluoxetine
 Metabolizing enzyme inhibitor
  DG01933  CYP2C19 inhibitor
   DG00942  Fluoxetine
    D00326  Fluoxetine
  DG01645  CYP2D6 inhibitor
   DG00942  Fluoxetine
    D00326  Fluoxetine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00942  Fluoxetine
    D00326  Fluoxetine
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00942  Fluoxetine
    D00326  Fluoxetine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D00326  Fluoxetine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00326
 Drug transporters
  D00326
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00942  Fluoxetine
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00942  Fluoxetine
  DG01644  CYP2D6 substrate
   DG00942  Fluoxetine
 Metabolizing enzyme inhibitor
  DG01933  CYP2C19 inhibitor
   DG00942  Fluoxetine
  DG01645  CYP2D6 inhibitor
   DG00942  Fluoxetine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00942  Fluoxetine
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00942  Fluoxetine
Other DBs
CAS: 54910-89-3
PubChem: 7847392
ChEBI: 5118
LigandBox: D00326
NIKKAJI: J244.937D
LinkDB
KCF data

ATOM        22
            1   C1c C    19.5445  -17.2645
            2   C8y C    19.5445  -18.6727
            3   O2a O    20.7718  -16.5573
            4   C1b C    18.3175  -16.5573
            5   C8x C    18.3117  -19.3799
            6   C8x C    20.7658  -19.3799
            7   C8y C    21.9931  -17.2645
            8   C1b C    17.1021  -17.2585
            9   C8x C    18.3117  -20.7938
            10  C8x C    20.7658  -20.7938
            11  C8x C    21.9931  -18.6727
            12  C8x C    23.2144  -16.5573
            13  N1b N    15.8748  -16.5515
            14  C8x C    19.5445  -21.5010
            15  C8x C    23.2085  -19.3799
            16  C8x C    24.4357  -17.2645
            17  C1a C    14.6535  -17.2585
            18  C8y C    24.4357  -18.6786
            19  C1d C    25.6568  -19.3856
            20  X   F    26.9717  -20.0226
            21  X   F    26.2471  -18.3863
            22  X   F    24.9673  -20.5193
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 2
            16   13  17 1
            17   15  18 2
            18   18  19 1
            19   19  20 1
            20   19  21 1
            21   19  22 1
            22   10  14 2
            23   16  18 1

» Japanese version   » Back

KEGG   DRUG: Isoniazid
Entry
D00346                      Drug                                   
Name
Isoniazid (JP18/USP/INN);
Laniazid (TN)
Product
  Generic
ISONIAZID (A-S Medication Solutions), ISONIAZID (A-S Medication Solutions), ISONIAZID (American Health Packaging), ISONIAZID (Aphena Pharma Solutions - Tennessee), ISONIAZID (Aphena Pharma Solutions - Tennessee), ISONIAZID (CMP Pharma), ISONIAZID (Chartwell RX), ISONIAZID (Chartwell RX), ISONIAZID (Mylan Institutional), ISONIAZID (PD-Rx Pharmaceuticals), ISONIAZID (Preferred Pharmaceuticals), ISONIAZID (Proficient Rx LP), ISONIAZID (REMEDYREPACK), ISONIAZID (REMEDYREPACK), ISONIAZID (RPK Pharmaceuticals), ISONIAZID (Sandoz), ISONIAZID (Teva Pharmaceuticals USA), ISONIAZID 300 MG (Health Department)
Formula
C6H7N3O
Exact mass
137.0589
Mol weight
137.1393
Structure
Simcomp
Class
Antibacterial
 DG01966  Antitubercular
Neuropsychiatric agent
 DG01568  MAO inhibitor
  DG01519  Non-selective monoamine oxidase inhibitor
Remark
Same as: C07054
Therapeutic category: 6222
ATC code: J04AC01
Chemical structure group: DG00642
Product (DG00642): D00346<JP/US> D02002<JP>
Efficacy
Antibacterial (tuberculostatic)
  Disease
Tuberculosis [DS:H00342]
Comment
Hydrazide
Target
enoyl-[acyl-carrier-protein] reductase (NADH) [KO:K11611]
Interaction
Structure map
map07216  Catecholamine transferase inhibitors
Other map
map00983  Drug metabolism - other enzymes
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J04 ANTIMYCOBACTERIALS
   J04A DRUGS FOR TREATMENT OF TUBERCULOSIS
    J04AC Hydrazides
     J04AC01 Isoniazid
      D00346  Isoniazid (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antimycobacterials
  Antituberculars
   Isoniazid
    D00346  Isoniazid (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   622  Tuberculosis preparations
    6222  Isoniazids
     D00346  Isoniazid (JP18/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01966  Antitubercular
   DG00642  Isoniazid
    D00346  Isoniazid
 Neuropsychiatric agent
  DG01568  MAO inhibitor
   DG01519  Non-selective monoamine oxidase inhibitor
    DG00642  Isoniazid
     D00346  Isoniazid
Antimicrobials [BR:br08307]
 Antibacterials
  Other antibacterials
   Mycolic acid biosynthesis inhibitor
    D00346  Isoniazid (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00346  Isoniazid
  D00346  Isoniazid tablets
  D00346  Isoniazid injection
Drug groups [BR:br08330]
 Antibacterial
  DG01966  Antitubercular
   DG00642  Isoniazid
 Neuropsychiatric agent
  DG01568  MAO inhibitor
   DG01519  Non-selective monoamine oxidase inhibitor
    DG00642  Isoniazid
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Other antibacterials
   Mycolic acid biosynthesis inhibitor
    DG00642  Isoniazid
Other DBs
CAS: 54-85-3
PubChem: 7847412
ChEBI: 6030
PDB-CCD: NIZ[PDBj]
LigandBox: D00346
NIKKAJI: J1.371D
LinkDB
KCF data

ATOM        10
            1   C8y C    22.4877  -16.7300
            2   C5a C    23.6995  -17.4291
            3   C8x C    21.2816  -17.4291
            4   C8x C    22.4877  -15.3316
            5   N1b N    24.9115  -16.7300
            6   O5a O    23.6995  -18.8275
            7   C8x C    20.0638  -16.7300
            8   C8x C    21.2816  -14.6266
            9   N1a N    26.1293  -17.4291
            10  N5x N    20.0638  -15.3316
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 2
            10    8  10 1

» Japanese version   » Back

KEGG   DRUG: Itraconazole
Entry
D00350                      Drug                                   
Name
Itraconazole (JP18/USP);
Itrizole (TN);
Sporanox (TN)
  Abbr
ITC
Product
ITRACONAZOLE (Patriot Pharmaceuticals), ITRACONAZOLE (Patriot Pharmaceuticals), SPORANOX (Janssen Pharmaceuticals), SPORANOX (Janssen Pharmaceuticals), TOLSURA (Mayne Pharma Commercial LLC)
  Generic
ITRACONAZOLE (Accord Healthcare), ITRACONAZOLE (Alembic Pharmaceuticals Limited), ITRACONAZOLE (Alembic Pharmaceuticals), ITRACONAZOLE (American Health Packaging), ITRACONAZOLE (Amneal Pharmaceuticals LLC), ITRACONAZOLE (Amneal Pharmaceuticals LLC), ITRACONAZOLE (Ascend Laboratories), ITRACONAZOLE (AvPAK), ITRACONAZOLE (Camber Pharmaceuticals), ITRACONAZOLE (NorthStar RxLLC), ITRACONAZOLE (Par Pharmaceutical), ITRACONAZOLE (REMEDYREPACK), ITRACONAZOLE (REMEDYREPACK), ITRACONAZOLE (Torrent Pharmaceuticals Limited), ITRACONAZOLE (Zydus Lifesciences Limited), ITRACONAZOLE (Zydus Pharmaceuticals USA), ITRACONAZOLE ORAL (Natco Pharma USA LLC)
Formula
C35H38Cl2N8O4
Exact mass
704.2393
Mol weight
705.6334
Structure
Simcomp
Class
Antifungal
 DG01523  Triazole antifungal
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Therapeutic category: 6290
ATC code: J02AC02
Product: D00350<JP/US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
  Disease
Blastomycosis [DS:H01501]
Histoplasmosis [DS:H01062]
Aspergillosis [DS:H01328]
Onychomycosis of the toenail, fingernail [DS:H01316]
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07026  Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AC Triazole and tetrazole derivatives
     J02AC02 Itraconazole
      D00350  Itraconazole (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antifungals
  Itraconazole
   D00350  Itraconazole (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D00350  Itraconazole (JP18/USP)
Drug groups [BR:br08330]
 Antifungal
  DG01523  Triazole antifungal
   D00350  Itraconazole
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00350  Itraconazole
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D00350  Itraconazole
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D00350  Itraconazole
Drug classes [BR:br08332]
 Antifungal
  DG01523  Triazole antifungal
   D00350  Itraconazole
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    D00350  Itraconazole (JP18/USP) <JP/US>
Antimicrobials abbreviations [BR:br08327]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    D00350  Itraconazole (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00350  Itraconazole
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00350
 Drug transporters
  D00350
Other DBs
CAS: 84625-61-6
PubChem: 7847416
ChEBI: 6076
LigandBox: D00350
NIKKAJI: J23.733G
LinkDB
KCF data

ATOM        49
            1   C8x C    19.8100   -8.8900
            2   C8x C    21.2100   -8.8900
            3   C8y C    21.9100   -7.6776
            4   C8x C    21.2100   -6.4651
            5   C8x C    19.8100   -6.4651
            6   C8y C    19.1100   -7.6776
            7   N1y N    23.3098   -7.6776
            8   C1x C    24.0197   -8.9068
            9   C1x C    25.4197   -8.9066
            10  N1y N    26.1196   -7.6941
            11  C1x C    25.4097   -6.4649
            12  C1x C    24.0097   -6.4651
            13  C8y C    27.5100   -7.6940
            14  C8x C    28.2127   -8.9109
            15  C8x C    29.6127   -8.9108
            16  C8y C    30.3126   -7.6983
            17  C8x C    29.6099   -6.4814
            18  C8x C    28.2099   -6.4815
            19  N4y N    31.7100   -7.6981
            20  C8y C    32.5339   -8.8319
            21  N4y N    33.8668   -8.3987
            22  N5x N    33.8666   -6.9972
            23  C8x C    32.5337   -6.5642
            24  O2a O    17.7102   -7.6776
            25  C1b C    17.0004   -8.9068
            26  C1y C    15.6101   -8.9066
            27  O5x O    32.1066  -10.1479
            28  C1c C    35.0792   -9.0986
            29  C1b C    36.2916   -8.3985
            30  C1a C    35.0794  -10.5000
            31  C1a C    37.4808   -9.0853
            32  O2x O    14.7793   -7.7630
            33  C1z C    13.4350   -8.1998
            34  O2x O    13.4349   -9.6132
            35  C1x C    14.7792  -10.0501
            36  C8y C    13.4350   -6.7998
            37  C1b C    12.0350   -8.1998
            38  C8x C    14.6554   -6.0952
            39  C8x C    14.6555   -4.6952
            40  C8y C    13.4430   -3.9952
            41  C8x C    12.2226   -4.6997
            42  C8y C    12.2226   -6.0997
            43  X   Cl   13.4431   -2.5900
            44  N4y N    11.3405   -9.4027
            45  X   Cl   11.0350   -6.7855
            46  C8x C     9.9405   -9.4027
            47  N5x N     9.5079  -10.7342
            48  C8x C    10.6405  -11.5571
            49  N5x N    11.7731  -10.7342
BOND        55
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 2
            26   19  23 1
            27    6  24 1
            28   24  25 1
            29   26  25 1 #Up
            30   20  27 2
            31   21  28 1
            32   28  29 1
            33   28  30 1
            34   29  31 1
            35   26  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   26  35 1
            40   33  36 1 #Down
            41   33  37 1 #Up
            42   36  38 2
            43   38  39 1
            44   39  40 2
            45   40  41 1
            46   41  42 2
            47   36  42 1
            48   40  43 1
            49   37  44 1
            50   42  45 1
            51   44  46 1
            52   46  47 2
            53   47  48 1
            54   48  49 2
            55   44  49 1

» Japanese version   » Back

KEGG   DRUG: Ketoconazole
Entry
D00351                      Drug                                   
Name
Ketoconazole (JP18/USP);
Nizoral (TN);
Xolegel (TN)
  Abbr
KTC
Product
  Generic
KETOCONAZOLE (A-S Medication Solutions), KETOCONAZOLE (A-S Medication Solutions), KETOCONAZOLE (A-S Medication Solutions), KETOCONAZOLE (A-S Medication Solutions), KETOCONAZOLE (A-S Medication Solutions), KETOCONAZOLE (A-S Medication Solutions), KETOCONAZOLE (Bryant Ranch Prepack), KETOCONAZOLE (Bryant Ranch Prepack), KETOCONAZOLE (Bryant Ranch Prepack), KETOCONAZOLE (Bryant Ranch Prepack), KETOCONAZOLE (Bryant Ranch Prepack), KETOCONAZOLE (Bryant Ranch Prepack), KETOCONAZOLE (Burel Pharmaceuticals), KETOCONAZOLE (Direct Rx), KETOCONAZOLE (Direct_Rx), KETOCONAZOLE (E. Fougera & Co. a division of Fougera Pharmaceuticals), KETOCONAZOLE (Encube Ethicals Private Limited), KETOCONAZOLE (Golden State Medical Supply), KETOCONAZOLE (Golden State Medical Supply), KETOCONAZOLE (IPG PHARMACEUTICALS), KETOCONAZOLE (NORTHSTAR RX LLC), KETOCONAZOLE (NuCare Pharmaceuticals), KETOCONAZOLE (NuCare Pharmaceuticals), KETOCONAZOLE (NuCare Pharmaceuticals), KETOCONAZOLE (NuCare Pharmaceuticals), KETOCONAZOLE (NuCare Pharmaceuticals), KETOCONAZOLE (PD-Rx Pharmaceuticals), KETOCONAZOLE (Padagis Israel Pharmaceuticals), KETOCONAZOLE (Padagis Israel Pharmaceuticals), KETOCONAZOLE (Preferred Pharmaceuticals), KETOCONAZOLE (Preferred Pharmaceuticals), KETOCONAZOLE (Preferred Pharmaceuticals), KETOCONAZOLE (Proficient Rx LP), KETOCONAZOLE (Proficient Rx LP), KETOCONAZOLE (Proficient Rx LP), KETOCONAZOLE (REMEDYREPACK), KETOCONAZOLE (REMEDYREPACK), KETOCONAZOLE (REMEDYREPACK), KETOCONAZOLE (RPK Pharmaceuticals), KETOCONAZOLE (RPK Pharmaceuticals), KETOCONAZOLE (RPK Pharmaceuticals), KETOCONAZOLE (Strides Pharma Science Limited), KETOCONAZOLE (THIRTY MADISON), KETOCONAZOLE (TOLMAR), KETOCONAZOLE (Taro Pharmaceuticals U.S.A.), KETOCONAZOLE (Taro Pharmaceuticals U.S.A.), KETOCONAZOLE (Teva Pharmaceuticals USA), KETOCONAZOLE (Xiromed), KETOCONAZOLE CREAM (Direct_Rx), KETOCONAZOLE CREAM, 2% (Tasman Pharma), KETODAN (Medimetriks Pharmaceuticals)
Formula
C26H28Cl2N4O4
Exact mass
530.1488
Mol weight
531.4309
Structure
Simcomp
Class
Antifungal
 DG01883  Imidazole antifungal
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Therapeutic category: 2655
ATC code: D01AC08 G01AF11 H02CA03 J02AB02
Product: D00351<JP/US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
  Disease
Seborrheic dermatitis [DS:H01652]
Tinea (pityriasis) versicolor [DS:H01334]
Tinea pedis [DS:H01316]
Blastomycosis [DS:H01501]
Coccidioidomycosis [DS:H01319]
Histoplasmosis [DS:H01062]
Chromomycosis [DS:H01520]
Paracoccidioidomycosis [DS:H01329]
Comment
Imidazole derivative
Racemic mixture of two cis-enantiomers [The diagram shows the (2S,4R)-isomer.]
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
hsa00140  Steroid hormone biosynthesis
ko00100  Steroid biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07026  Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC08 Ketoconazole
      D00351  Ketoconazole (JP18/USP) <JP/US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF11 Ketoconazole
      D00351  Ketoconazole (JP18/USP) <JP/US>
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02C ANTIADRENAL PREPARATIONS
    H02CA Anticorticosteroids
     H02CA03 Ketoconazole
      D00351  Ketoconazole (JP18/USP) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AB Imidazole derivatives
     J02AB02 Ketoconazole
      D00351  Ketoconazole (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antifungals
  Ketoconazole
   D00351  Ketoconazole (JP18/USP)
 Dermatological Agents
  Topical Anti-infectives
   Antifungals, dermatological
    Ketoconazole
     D00351  Ketoconazole (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   265  Antiparasitic dermatosis agents
    2655  Imidazoles
     D00351  Ketoconazole (JP18/USP)
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   D00351  Ketoconazole
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00351  Ketoconazole
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D00351  Ketoconazole
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D00351  Ketoconazole
Drug classes [BR:br08332]
 Antifungal
  DG01883  Imidazole antifungal
   D00351  Ketoconazole
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    D00351  Ketoconazole (JP18/USP) <JP/US>
Antimicrobials abbreviations [BR:br08327]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    D00351  Ketoconazole (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00351  Ketoconazole
  D00351  Ketoconazole solution
  D00351  Ketoconazole lotion
  D00351  Ketoconazole cream
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00351
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00351
 Drug transporters
  D00351
Rx-to-OTC switch list in the USA [br08315.html]
 D00351
Other DBs
CAS: 65277-42-1
PubChem: 7847417
ChEBI: 47519
PDB-CCD: KLN[PDBj]
LigandBox: D00351
NIKKAJI: J231.018J J311.163F
LinkDB
KCF data

ATOM        36
            1   C1z C    16.6092  -16.9097
            2   C8y C    15.4102  -16.2195
            3   O2x O    17.0363  -18.2256
            4   C1b C    15.5740  -17.8163
            5   O2x O    17.7323  -16.0907
            6   C8y C    15.4102  -14.8332
            7   C8x C    14.2111  -16.9097
            8   C1y C    18.4225  -18.2256
            9   N4y N    14.1235  -17.8220
            10  C1x C    18.8611  -16.9097
            11  C8x C    14.2111  -14.1430
            12  X   Cl   16.6092  -14.1430
            13  C8x C    13.0121  -16.2195
            14  C1b C    19.8437  -18.9977
            15  C8x C    12.9946  -17.0033
            16  C8x C    13.6906  -19.1381
            17  C8y C    13.0121  -14.8332
            18  O2a O    21.2066  -18.0677
            19  C8x C    11.8716  -17.8220
            20  N5x N    12.3044  -19.1381
            21  X   Cl   11.8132  -14.1430
            22  C8y C    22.5987  -18.0736
            23  C8x C    23.2889  -19.2784
            24  C8x C    23.3006  -16.8745
            25  C8x C    24.6750  -19.2843
            26  C8x C    24.6809  -16.8803
            27  C8y C    25.3711  -18.0794
            28  N1y N    26.7513  -18.0853
            29  C1x C    27.4415  -19.2901
            30  C1x C    27.4475  -16.8920
            31  C1x C    28.8278  -19.2960
            32  C1x C    28.8336  -16.8920
            33  N1y N    29.5238  -18.0911
            34  C5a C    30.9101  -18.0270
            35  C1a C    31.5943  -19.3018
            36  O5a O    31.6060  -16.9037
BOND        40
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1 #Up
            14    9  15 1
            15    9  16 1
            16   11  17 1
            17   14  18 1
            18   15  19 2
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   22  23 2
            23   22  24 1
            24   23  25 1
            25   24  26 2
            26   25  27 2
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   33  34 1
            34   34  35 1
            35   34  36 2
            36    8  10 1
            37   13  17 2
            38   19  20 1
            39   26  27 1
            40   32  33 1

» Japanese version   » Back

KEGG   DRUG: Zileuton
Entry
D00414                      Drug                                   
Name
Zileuton (USP/INN);
Zyflo (TN)
Product
ZYFLO (Chiesi USA)
  Generic
ZILEUTON (Camber Pharmaceuticals), ZILEUTON (Golden State Medical Supply), ZILEUTON (Rising Pharmaceuticals), ZILEUTON (Strides Pharma Science Limited)
Formula
C11H12N2O2S
Exact mass
236.0619
Mol weight
236.2902
Structure
Remark
Product: D00414<US>
Efficacy
Antiasthmatic, Arachidonate 5-lipoxygenase inhibitor
  Disease
Asthma [DS:H00079]
Target
ALOX5 [HSA:240] [KO:K00461]
  Pathway
hsa00590  Arachidonic acid metabolism
Brite
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antileukotrienes
   Zileuton
    D00414  Zileuton (USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dioxygenases
    ALOX5
     D00414  Zileuton (USP/INN) <US>
Other DBs
CAS: 111406-87-2
PubChem: 7847480
ChEBI: 10112
LigandBox: D00414
NIKKAJI: J369.927G
LinkDB
KCF data

ATOM        16
            1   C8y C    24.7273  -18.3637
            2   C1c C    25.9335  -19.0570
            3   C8x C    23.9057  -17.2215
            4   S2x S    23.8998  -19.4940
            5   N1c N    27.1454  -18.3637
            6   C1a C    25.9335  -20.4614
            7   C8y C    22.5713  -17.6527
            8   C8y C    22.5655  -19.0570
            9   C5a C    28.3576  -19.0570
            10  O1b O    27.1454  -16.9592
            11  C8x C    21.3593  -16.9535
            12  C8x C    21.3593  -19.7562
            13  N1a N    29.5637  -18.3637
            14  O5a O    28.3576  -20.4614
            15  C8x C    20.1474  -17.6527
            16  C8x C    20.1474  -19.0512
BOND        17
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 2
            11    8  12 2
            12    9  13 1
            13    9  14 2
            14   11  15 1
            15   12  16 1
            16    7   8 1
            17   15  16 2

» Japanese version   » Back

KEGG   DRUG: Miconazole
Entry
D00416                      Drug                                   
Name
Miconazole (JP18/USP/INN);
Monistat (TN);
Oravig (TN)
Product
ORAVIG (Galt Pharmaceuticals)
Formula
C18H14Cl4N2O
Exact mass
413.986
Mol weight
416.1286
Structure
Simcomp
Class
Antifungal
 DG01883  Imidazole antifungal
Metabolizing enzyme inhibitor
 DG01643  CYP2C9 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Remark
Therapeutic category: 6290
ATC code: A01AB09 A07AC01 D01AC02 G01AF04 J02AB01 S02AA13
Chemical structure group: DG00004
Product (DG00004): D00416<JP/US> D00882<JP/US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
  Disease
Oropharyngeal candidiasis [DS:H00363]
Comment
Imidazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
CYP inhibition: CYP2C9 [HSA:1559], CYP3A [HSA:1576 1577 1551]
Structure map
map07026  Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB09 Miconazole
      D00416  Miconazole (JP18/USP/INN) <JP/US>
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AC Imidazole derivatives
     A07AC01 Miconazole
      D00416  Miconazole (JP18/USP/INN) <JP/US>
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC02 Miconazole
      D00416  Miconazole (JP18/USP/INN) <JP/US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF04 Miconazole
      D00416  Miconazole (JP18/USP/INN) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AB Imidazole derivatives
     J02AB01 Miconazole
      D00416  Miconazole (JP18/USP/INN) <JP/US>
 S SENSORY ORGANS
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA13 Miconazole
      D00416  Miconazole (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antifungals
  Miconazole
   D00416  Miconazole (JP18/USP/INN)
 Dermatological Agents
  Topical Anti-infectives
   Antifungals, dermatological
    Miconazole
     D00416  Miconazole (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D00416  Miconazole (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Miconazole
    D00416  Miconazole (JP18/USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Miconazole
    D00416  Miconazole (JP18/USP/INN)
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00004  Miconazole
    D00416  Miconazole
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   DG00004  Miconazole
    D00416  Miconazole
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00004  Miconazole
    D00416  Miconazole
Drug classes [BR:br08332]
 Antifungal
  DG01883  Imidazole antifungal
   D00416  Miconazole
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    D00416  Miconazole (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00416  Miconazole
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00416
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00004  Miconazole
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   DG00004  Miconazole
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00004  Miconazole
Antimicrobials abbreviations [BR:br08327]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    DG00004  Miconazole
Other DBs
CAS: 22916-47-8
PubChem: 7847482
ChEBI: 6923
LigandBox: D00416
NIKKAJI: J11.471E
LinkDB
KCF data

ATOM        25
            1   C8y C    11.4100   -9.5200
            2   C8x C    11.4100  -10.9200
            3   C8y C    12.6224  -11.6200
            4   C8y C    13.8349  -10.9200
            5   C8x C    13.8349   -9.5200
            6   C8x C    12.6224   -8.8200
            7   C1b C    15.0724  -11.6200
            8   O2a O    16.2849  -10.9200
            9   C1c C    17.4973  -11.6200
            10  C1b C    18.7097  -10.9200
            11  N4y N    19.9222  -11.6200
            12  X   Cl   12.6224  -13.0198
            13  X   Cl   10.1976   -8.8200
            14  C8y C    17.4973  -13.0200
            15  C8y C    16.2869  -13.7188
            16  C8x C    16.2869  -15.1188
            17  C8y C    17.4993  -15.8188
            18  C8x C    18.7097  -15.1200
            19  C8x C    18.7097  -13.7200
            20  X   Cl   15.0924  -13.0290
            21  X   Cl   17.4993  -17.2200
            22  C8x C    19.9222  -13.0200
            23  N5x N    21.2537  -13.4526
            24  C8x C    22.0766  -12.3200
            25  C8x C    21.2537  -11.1874
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    3  12 1
            13    1  13 1
            14    9  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   15  20 1
            22   17  21 1
            23   11  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   11  25 1

» Japanese version   » Back

KEGG   DRUG: Ranitidine
Entry
D00422                      Drug                                   
Name
Ranitidine (USAN/INN);
Ranitidine (TN)
Formula
C13H22N4O3S
Exact mass
314.1413
Mol weight
314.4038
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter substrate
 DG02854  SLC22A2 substrate
Transporter inhibitor
 DG02863  SLC22A2 inhibitor
Remark
ATC code: A02BA02
Chemical structure group: DG00018
Product (DG00018): D00673<US>
Efficacy
Anti-ulcerative, H2 receptor antagonist
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Metabolism
Transporter: SLC22A2 [HSA:6582]
Interaction
CYP inhibition: CYP2D6 [HSA:1565], CYP3A [HSA:1576 1577 1551]
Transporter inhibition: SLC22A2 [HSA:6582]
Structure map
map07038  Antiulcer drugs
map07227  Histamine H2/H3 receptor agonists/antagonists
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BA H2-receptor antagonists
     A02BA02 Ranitidine
      D00422  Ranitidine (USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Ranitidine
    D00422  Ranitidine (USAN/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00018  Ranitidine
     D00422  Ranitidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00018  Ranitidine
    D00422  Ranitidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00018  Ranitidine
    D00422  Ranitidine
 Transporter substrate
  DG02854  SLC22A2 substrate
   DG00018  Ranitidine
    D00422  Ranitidine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG00018  Ranitidine
    D00422  Ranitidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D00422  Ranitidine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00422
 Drug transporters
  D00422
Rx-to-OTC switch list in the USA [br08315.html]
 D00422
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00018  Ranitidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00018  Ranitidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00018  Ranitidine
 Transporter substrate
  DG02854  SLC22A2 substrate
   DG00018  Ranitidine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG00018  Ranitidine
Other DBs
CAS: 66357-35-5
PubChem: 7847488
ChEBI: 8776
LigandBox: D00422
NIKKAJI: J19.096I
LinkDB
KCF data

ATOM        21
            1   C8y C    19.0765  -23.1392
            2   O2x O    20.1949  -23.9781
            3   C8x C    19.4959  -21.8111
            4   C1b C    17.8182  -23.8382
            5   C8y C    21.3133  -23.1392
            6   C8x C    20.8939  -21.8111
            7   N1c N    16.6298  -23.1392
            8   C1b C    22.5017  -23.8382
            9   C1a C    15.4415  -23.8382
            10  C1a C    16.6298  -21.7412
            11  S2a S    23.6900  -23.1392
            12  C1b C    24.9482  -23.8382
            13  C1b C    26.1366  -23.1392
            14  N1b N    27.3249  -23.8382
            15  C2c C    28.5831  -23.1392
            16  C2b C    29.7715  -23.8382
            17  N1b N    28.5831  -21.7412
            18  N2b N    30.9599  -23.1392 #+
            19  C1a C    27.3249  -21.0422
            20  O3a O    30.9599  -21.7412 #-
            21  O3a O    32.2181  -23.8382
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 1
            10    8  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 2
            21    5   6 2

» Japanese version   » Back

KEGG   DRUG: Ritonavir
Entry
D00427                      Drug                                   
Name
Ritonavir (JAN/USP/INN);
Norvir (TN)
  Abbr
RTV, r
Product
NORVIR (AbbVie)
  Generic
RITONAVIR (American Health Packaging), RITONAVIR (Amneal Pharmaceuticals LLC), RITONAVIR (Aurobindo Pharma Limited), RITONAVIR (Camber Pharmaceuticals), RITONAVIR (Cipla USA)
Formula
C37H48N6O5S2
Exact mass
720.3128
Mol weight
720.9442
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG01647  HIV protease inhibitor
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Metabolizing enzyme inducer
 DG01637  CYP1A2 inducer
 DG02886  CYP2C9 inducer
 DG02885  CYP2C19 inducer
Remark
Same as: C07240
Therapeutic category: 6250
ATC code: J05AE03
Product: D00427<JP/US>
Product (mixture): D02498<JP/US> D12269<JP/US>
Efficacy
Antiviral, HIV protease inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
HIV protease [KO:K22599]
  Pathway
ko03230  Viral genome structure
ko03250  Viral life cycle - HIV-1
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551], CYP2D6 [HSA:1565]
Interaction
CYP induction: CYP1A2 [HSA:1544], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Structure map
map07053  Anti-HIV agents
map07218  HIV protease inhibitors
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AE Protease inhibitors
     J05AE03 Ritonavir
      D00427  Ritonavir (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors (PI)
   Ritonavir
    D00427  Ritonavir (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00427  Ritonavir (JAN/USP/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG01647  HIV protease inhibitor
    D00427  Ritonavir
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   D00427  Ritonavir
  DG01633  CYP3A/CYP3A4 substrate
   D00427  Ritonavir
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   D00427  Ritonavir
 Metabolizing enzyme inducer
  DG01637  CYP1A2 inducer
   D00427  Ritonavir
  DG02886  CYP2C9 inducer
   D00427  Ritonavir
  DG02885  CYP2C19 inducer
   D00427  Ritonavir
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D00427  Ritonavir
Antimicrobials [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D00427  Ritonavir (JAN/USP/INN) <JP/US>
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D00427  Ritonavir (JAN/USP/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00427
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00427
Other DBs
CAS: 155213-67-5
PubChem: 7847493
ChEBI: 45409
PDB-CCD: RIT[PDBj]
LigandBox: D00427
NIKKAJI: J659.314C
LinkDB
KCF data

ATOM        50
            1   C1c C    33.1164  -17.1963
            2   C1b C    33.1237  -18.5903
            3   C1b C    34.3298  -16.5030
            4   N1b N    31.9103  -16.5103
            5   C8y C    34.1059  -19.5798
            6   C1c C    35.5358  -17.1892
            7   C5a C    30.7041  -17.2037
            8   C8x C    33.3982  -20.7786
            9   C8x C    35.4926  -19.5868
            10  C1c C    36.7348  -16.4960
            11  O1a O    35.5431  -18.5831
            12  C1c C    29.4983  -16.5175
            13  O5a O    30.7041  -18.5975
            14  C8x C    34.0915  -21.9846
            15  C8x C    36.1859  -20.7931
            16  C1b C    36.7348  -15.0948
            17  N1b N    37.9408  -17.1819
            18  N1b N    28.2849  -17.2108
            19  C1c C    29.4909  -14.6983
            20  C8x C    35.4782  -21.9919
            21  C8y C    35.5212  -14.3942
            22  C7a C    39.1540  -16.4886
            23  C5a C    27.0787  -16.5247
            24  C1a C    30.7041  -13.9977
            25  C1a C    28.2776  -13.9977
            26  C8x C    35.5212  -13.0004
            27  C8x C    34.3225  -15.1019
            28  O7a O    40.3603  -17.1748
            29  O6a O    39.1465  -15.0875
            30  N1c N    25.8799  -17.2181
            31  O5a O    27.0787  -15.1237
            32  C8x C    34.3153  -12.3071
            33  C8x C    33.1092  -14.4013
            34  C1b C    41.5663  -16.4815
            35  C1b C    24.6737  -16.5321
            36  C1a C    25.8799  -18.6120
            37  C8x C    33.1092  -13.0075
            38  C8y C    42.7723  -17.1675
            39  C8y C    23.4604  -17.2252
            40  C8x C    42.7653  -18.5615
            41  S2x S    44.1013  -16.7485
            42  N5x N    22.1171  -16.8642
            43  C8x C    23.4626  -18.6191
            44  N5x N    44.0868  -18.9947
            45  C8x C    44.9100  -17.8754
            46  C8y C    21.3445  -18.0341
            47  S2x S    22.2256  -19.1175
            48  C1c C    19.9506  -18.0296
            49  C1a C    19.1994  -16.8594
            50  C1a C    19.3149  -19.2789
BOND        53
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1 #Up
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 2
            15   10  16 1 #Down
            16   10  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   14  20 2
            20   16  21 1
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   19  25 1
            25   21  26 2
            26   21  27 1
            27   22  28 1
            28   22  29 2
            29   23  30 1
            30   23  31 2
            31   26  32 1
            32   27  33 2
            33   28  34 1
            34   30  35 1
            35   30  36 1
            36   32  37 2
            37   34  38 1
            38   35  39 1
            39   38  40 2
            40   38  41 1
            41   39  42 1
            42   39  43 2
            43   40  44 1
            44   41  45 1
            45   42  46 2
            46   43  47 1
            47   46  48 1
            48   48  49 1
            49   48  50 1
            50   15  20 1
            51   33  37 1
            52   44  45 2
            53   46  47 1

» Japanese version   » Back

KEGG   DRUG: Saquinavir
Entry
D00429                      Drug                                   
Name
Saquinavir (JAN/USP/INN);
Fortovase (TN)
Formula
C38H50N6O5
Exact mass
670.3843
Mol weight
670.8408
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG01647  HIV protease inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
Remark
ATC code: J05AE01
Chemical structure group: DG00653
Product (DG00653): D01160<US>
Efficacy
Antiviral, HIV protease inhibitor
Target
HIV protease [KO:K22599]
  Pathway
ko03230  Viral genome structure
ko03250  Viral life cycle - HIV-1
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Structure map
map07053  Anti-HIV agents
map07218  HIV protease inhibitors
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AE Protease inhibitors
     J05AE01 Saquinavir
      D00429  Saquinavir (JAN/USP/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG01647  HIV protease inhibitor
    DG00653  Saquinavir
     D00429  Saquinavir
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00653  Saquinavir
     D00429  Saquinavir
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00653  Saquinavir
    D00429  Saquinavir
Antimicrobials [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D00429  Saquinavir (JAN/USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00429
 Drug transporters
  D00429
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG01647  HIV protease inhibitor
    DG00653  Saquinavir
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00653  Saquinavir
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00653  Saquinavir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    DG00653  Saquinavir
Other DBs
CAS: 127779-20-8
PubChem: 7847495
ChEBI: 63621
PDB-CCD: ROC[PDBj]
LigandBox: D00429
NIKKAJI: J378.898I
LinkDB
KCF data

ATOM        49
            1   N1y N    24.0731  -16.9101
            2   C1y C    25.2808  -16.2076
            3   C1x C    24.0673  -18.3038
            4   C1b C    22.8652  -16.2076
            5   C1x C    26.4828  -16.9101
            6   C5a C    25.2808  -14.8139
            7   C1y C    25.2750  -18.9889
            8   C1c C    21.6575  -16.9043
            9   C1y C    26.4828  -18.3038
            10  N1b N    26.4886  -14.1230
            11  O5a O    24.0847  -14.1171
            12  C1x C    25.2692  -20.3768
            13  C1c C    20.4496  -16.2018
            14  O1a O    21.6516  -18.2980
            15  C1x C    27.6789  -19.0005
            16  C1d C    27.6965  -14.8198
            17  C1x C    26.4712  -21.0852
            18  C1b C    20.4555  -14.8023
            19  N1b N    19.2419  -16.8928
            20  C1x C    27.6673  -20.3942
            21  C8y C    21.6424  -14.1128
            22  C5a C    18.0456  -16.1959
            23  C8x C    23.0362  -14.1593
            24  C8x C    20.9740  -12.8899
            25  C1c C    16.8379  -16.8811
            26  O5a O    18.0456  -14.7966
            27  C8x C    23.7705  -12.9681
            28  C8x C    21.7086  -11.6986
            29  N1b N    15.6302  -16.1843
            30  C1b C    16.8321  -18.6232
            31  C8x C    23.1033  -11.6623
            32  C5a C    14.4223  -16.8754
            33  C5a C    18.0399  -19.3316
            34  C8y C    13.2203  -16.1843
            35  O5a O    14.4223  -18.2688
            36  N1a N    18.0399  -20.7253
            37  O5a O    19.2476  -18.6405
            38  N5x N    12.0067  -16.8695
            39  C8x C    13.2262  -14.7850
            40  C8y C    10.8687  -16.1727
            41  C8x C    12.0183  -14.0823
            42  C8y C    10.8805  -14.7733
            43  C8x C     9.6027  -16.8695
            44  C8x C     9.6027  -14.0765
            45  C8x C     8.3950  -16.1727
            46  C8x C     8.3950  -14.7733
            47  C1a C    28.9034  -15.5166
            48  C1a C    28.3871  -13.6232
            49  C1a C    26.9938  -16.0371
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Up
            14    9  15 1
            15   10  16 1
            16   12  17 1
            17   13  18 1 #Up
            18   13  19 1
            19   15  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 2
            23   21  24 1
            24   22  25 1
            25   22  26 2
            26   23  27 1
            27   24  28 2
            28   25  29 1
            29   25  30 1 #Down
            30   27  31 2
            31   29  32 1
            32   30  33 1
            33   32  34 1
            34   32  35 2
            35   33  36 1
            36   33  37 2
            37   34  38 2
            38   34  39 1
            39   38  40 1
            40   39  41 2
            41   40  42 1
            42   40  43 2
            43   42  44 2
            44   43  45 1
            45   44  46 1
            46    7   9 1
            47   17  20 1
            48   28  31 1
            49   41  42 1
            50   45  46 2
            51   16  47 1
            52   16  48 1
            53   16  49 1

» Japanese version   » Back

KEGG   DRUG: Ethinyl estradiol
Entry
D00554                      Drug                                   
Name
Ethinyl estradiol (USP);
Ethinylestradiol (JP18/INN);
Estinyl (TN)
Formula
C20H24O2
Exact mass
296.1776
Mol weight
296.4034
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Remark
Same as: C07534
Therapeutic category: 2474
ATC code: G03CA01 L02AA03
Chemical structure group: DG00461
Product (DG00461): D00554<JP>
Product (mixture): D04460<US> D04463<JP/US> D04482<JP/US> D04483<JP/US> D04484<JP/US> D09741<JP/US> D10590<US> D10839<US> D11654<US> D11655<US> D12130<US> D12137<US>
Efficacy
Antineoplastic, Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
  Network
nt06270  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CA Natural and semisynthetic estrogens, plain
     G03CA01 Ethinylestradiol
      D00554  Ethinyl estradiol (USP) <JP>
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AA Estrogens
     L02AA03 Ethinylestradiol
      D00554  Ethinyl estradiol (USP) <JP>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Ethinyl Estradiol
    D00554  Ethinyl estradiol (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2474  Ethinylestradiols
     D00554  Ethinyl estradiol (USP); Ethinylestradiol (JP18/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Drugs for women
  51 Other drugs for women
   D00554  Ethinyl estradiol (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Ethinylestradiol
    D00554  Ethinyl estradiol (USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ethinylestradiol
    D00554  Ethinyl estradiol (USP)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00461  Ethinylestradiol
    D00554  Ethinyl estradiol
  DG01584  Estrogen receptor agonist
   DG00461  Ethinylestradiol
    D00554  Ethinyl estradiol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00461  Ethinylestradiol
     D00554  Ethinyl estradiol
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00461  Ethinylestradiol
     D00554  Ethinyl estradiol
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG01986  Estrogen
   D00554  Ethinyl estradiol
  DG01584  Estrogen receptor agonist
   D00554  Ethinyl estradiol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D00554  Ethinyl estradiol (USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00554  Ethinylestradiol
  D00554  Ethinylestradiol tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00554
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00461  Ethinylestradiol
  DG01584  Estrogen receptor agonist
   DG00461  Ethinylestradiol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00461  Ethinylestradiol
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00461  Ethinylestradiol
Other DBs
CAS: 57-63-6
PubChem: 7847620
ChEBI: 4903
PDB-CCD: 3WF[PDBj]
LigandBox: D00554
NIKKAJI: J2.803G
LinkDB
KCF data

ATOM        22
            1   C1y C    20.4641  -16.5790
            2   C1z C    20.4525  -15.2599
            3   C1y C    19.3184  -17.2675
            4   C1x C    22.7610  -16.5558
            5   C1z C    21.5923  -14.5829
            6   C1x C    19.2897  -14.6060
            7   C1a C    20.4069  -13.9233
            8   C1y C    18.1671  -16.6137
            9   C1x C    19.3474  -18.5982
            10  C1x C    22.7435  -15.2310
            11  C3b C    22.6337  -13.9233
            12  C1x C    18.2198  -15.2887
            13  C8y C    17.0216  -17.3022
            14  C1x C    18.2020  -19.2926
            15  C3a C    23.6808  -13.2580
            16  C8y C    17.0390  -18.6328
            17  C8x C    15.8414  -16.6542
            18  C8x C    15.8992  -19.3387
            19  C8x C    14.6901  -17.3484
            20  C8y C    14.7190  -18.6967
            21  O1a O    13.5735  -19.3908
            22  O1a O    21.5923  -12.9182
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    8  13 1
            13    9  14 1
            14   11  15 3
            15   13  16 2
            16   13  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    5  10 1
            22    8  12 1
            23   14  16 1
            24   19  20 1
            25    5  22 1 #Up

» Japanese version   » Back

KEGG   DRUG: Voriconazole
Entry
D00578                      Drug                                   
Name
Voriconazole (JP18/USP/INN);
Vfend (TN)
  Abbr
VRC
Product
VFEND (Roerig), VFEND (Roerig), VFEND (Roerig), VORICONAZOLE (XGen Pharmaceuticals DJB), VORICONAZOLE (Xellia Pharmaceuticals USA LLC)
  Generic
VORICONAZOLE (Ajanta Pharma USA), VORICONAZOLE (Alvogen), VORICONAZOLE (American Health Packaging), VORICONAZOLE (Amneal Pharmaceuticals LLC), VORICONAZOLE (Aurobindo Pharma Limited), VORICONAZOLE (AvPAK), VORICONAZOLE (Bryant Ranch Prepack), VORICONAZOLE (Civica), VORICONAZOLE (Eugia US LLC), VORICONAZOLE (Fosun Pharma USA), VORICONAZOLE (Fresenius Kabi USA), VORICONAZOLE (Gland Pharma Limited), VORICONAZOLE (Glenmark Pharmaceuticals), VORICONAZOLE (Golden State Medical Supply), VORICONAZOLE (Greenstone LLC), VORICONAZOLE (Hainan Poly Pharm.), VORICONAZOLE (Lupin Pharmaceuticals), VORICONAZOLE (Lupin Pharmaceuticals), VORICONAZOLE (Major Pharmaceuticals), VORICONAZOLE (Major Pharmaceuticals), VORICONAZOLE (Mckesson Corporation DBA SKY Packaginng), VORICONAZOLE (Meitheal Pharmaceuticals), VORICONAZOLE (Mylan Institutional), VORICONAZOLE (Mylan Pharmaceuticals), VORICONAZOLE (NorthStar Rx LLC), VORICONAZOLE (Novel Laboratories), VORICONAZOLE (Sandoz), VORICONAZOLE (Sandoz), VORICONAZOLE (Slate Run Pharmaceuticals), VORICONAZOLE (Solco Healthcare U.S.), VORICONAZOLE (UBI Pharma), VORICONAZOLE (Viona Pharmaceuticals), VORICONAZOLE (Zydus Lifesciences Limited), VORICONAZOLE (Zydus Lifesciences Limited), VORICONAZOLE (Zydus Pharmaceuticals USA)
Formula
C16H14F3N5O
Exact mass
349.115
Mol weight
349.3105
Structure
Simcomp
Class
Antifungal
 DG01523  Triazole antifungal
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Remark
Same as: C07622
Therapeutic category: 6179
ATC code: J02AC03
Product: D00578<JP/US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
  Disease
Invasive aspergillosis [DS:H01328]
Esophageal candidiasis [DS:H00363]
Scedosporiosis [DS:H02392]
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Structure map
map07026  Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AC Triazole and tetrazole derivatives
     J02AC03 Voriconazole
      D00578  Voriconazole (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antifungals
  Voriconazole
   D00578  Voriconazole (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   617  Acting mainly on mold
    6179  Others
     D00578  Voriconazole (JP18/USP/INN)
Drug groups [BR:br08330]
 Antifungal
  DG01523  Triazole antifungal
   D00578  Voriconazole
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   D00578  Voriconazole
Drug classes [BR:br08332]
 Antifungal
  DG01523  Triazole antifungal
   D00578  Voriconazole
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    D00578  Voriconazole (JP18/USP/INN) <JP/US>
Antimicrobials abbreviations [BR:br08327]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    D00578  Voriconazole (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00578  Voriconazole
  D00578  Voriconazole tablets
  D00578  Voriconazole for injection
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00578
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00578
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00578
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00578
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00578
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00578
Other DBs
CAS: 137234-62-9
PubChem: 7847644
ChEBI: 10023
PDB-CCD: VOR[PDBj]
LigandBox: D00578
NIKKAJI: J709.476K
LinkDB
KCF data

ATOM        25
            1   C1d C    25.0014  -20.8416
            2   C8y C    25.0014  -18.5274
            3   C1c C    23.8241  -21.5118
            4   C1b C    26.1673  -21.5178
            5   O1a O    25.0014  -22.1939
            6   C8y C    26.1614  -17.8513
            7   C8x C    23.8241  -17.8513
            8   C8y C    22.6232  -20.8240
            9   C1a C    23.8181  -22.8992
            10  N4y N    27.3447  -20.8357
            11  C8x C    26.1614  -16.5049
            12  X   F    27.3389  -18.5274
            13  C8x C    23.8241  -16.5049
            14  C8y C    21.4225  -21.5118
            15  N5x N    22.6349  -19.4367
            16  C8x C    27.4030  -19.4950
            17  N5x N    28.5688  -21.3895
            18  C8y C    25.0014  -15.8228
            19  C8x C    20.2216  -20.8183
            20  X   F    21.4225  -22.8992
            21  C8x C    21.4283  -18.7374
            22  N5x N    28.7960  -19.2095
            23  C8x C    29.4839  -20.3869
            24  X   F    25.0014  -14.4647
            25  N5x N    20.2216  -19.4310
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    8  15 2
            15   10  16 1
            16   10  17 1
            17   11  18 2
            18   14  19 2
            19   14  20 1
            20   15  21 1
            21   16  22 2
            22   17  23 2
            23   18  24 1
            24   19  25 1
            25   13  18 1
            26   21  25 2
            27   22  23 1

» Japanese version   » Back

KEGG   DRUG: Mifepristone
Entry
D00585                      Drug                                   
Name
Mifepristone (JAN/USAN/INN);
Korlym (TN);
Mifeprex (TN)
Product
KORLYM (Corcept Therapeutics Incorporated)
  Generic
MIFEPRISTONE (Actavis Pharma), MIFEPRISTONE (GenBioPro), MPM PAK (NuCare Pharmaceuticals), MPM PAK (NuCare Pharmaceuticals), MPM PAK (NuCare Pharmaceuticals)
Formula
C29H35NO2
Exact mass
429.2668
Mol weight
429.5937
Structure
Simcomp
Class
Hormonal agent
 DG01667  Progesterone receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Remark
Same as: C07652
ATC code: G03XB01
Product: D00585<US>
Product (mixture): D12586<JP>
Efficacy
Abortifacient, Contraceptive, Progesterone receptor antagonist
Comment
Treatment of gynecological disorders
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
    G03XB Progesterone receptor modulators
     G03XB01 Mifepristone
      D00585  Mifepristone (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers), Other
   Mifepristone
    D00585  Mifepristone (JAN/USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01667  Progesterone receptor antagonist
   D00585  Mifepristone
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00585  Mifepristone
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   D00585  Mifepristone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D00585  Mifepristone (JAN/USAN/INN) <US>
    NR3C3 (PGR)
     D00585  Mifepristone (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00585
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00585
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00585
Other DBs
CAS: 84371-65-3
PubChem: 7847651
ChEBI: 50692
PDB-CCD: 486[PDBj]
LigandBox: D00585
NIKKAJI: J23.743D
LinkDB
KCF data

ATOM        32
            1   C2y C    24.5408  -18.3925
            2   C1y C    25.7249  -19.0925
            3   C1y C    24.5467  -17.0217
            4   C2y C    23.3450  -19.0808
            5   C1y C    26.9791  -18.4099
            6   C1x C    25.7249  -20.4632
            7   C1x C    25.7483  -16.3508
            8   C8y C    23.3683  -16.3275
            9   C2y C    23.3392  -20.4515
            10  C1x C    22.1551  -18.3867
            11  C1z C    26.9267  -17.0451
            12  C1x C    29.2774  -18.4392
            13  C1x C    24.5234  -21.1458
            14  C8x C    23.3859  -14.9625
            15  C8x C    22.1725  -17.0101
            16  C2x C    22.1551  -21.1399
            17  C1x C    20.9650  -19.0808
            18  C1z C    28.1225  -16.3799
            19  C1a C    26.9500  -15.7500
            20  C1x C    29.2950  -17.0742
            21  C8x C    22.1959  -14.2625
            22  C8x C    20.9884  -16.3158
            23  C5x C    20.9650  -20.4515
            24  C3b C    29.2483  -15.6801
            25  C8y C    21.0000  -14.9451
            26  O5x O    19.7751  -21.1399
            27  C3b C    30.4208  -14.9625
            28  N1c N    19.8159  -14.2392
            29  C1a C    31.5932  -14.2392
            30  C1a C    19.8276  -12.8684
            31  C1a C    18.6201  -14.9217
            32  O1a O    28.1225  -14.8399
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 2
            14    8  15 1
            15    9  16 2
            16   10  17 1
            17   11  18 1
            18   11  19 1 #Up
            19   12  20 1
            20   14  21 1
            21   15  22 2
            22   16  23 1
            23   18  24 1 #Down
            24   21  25 2
            25   23  26 2
            26   24  27 3
            27   25  28 1
            28   27  29 1
            29   28  30 1
            30   28  31 1
            31    7  11 1
            32    9  13 1
            33   17  23 1
            34   18  20 1
            35   22  25 1
            36   18  32 1 #Up

» Japanese version   » Back

KEGG   DRUG: Amlodipine besylate
Entry
D00615                      Drug                                   
Name
Amlodipine besylate (USP);
Amlodipine besilate (JP18);
Norvasc (TN)
Product
NORLIQVA (CMP Pharma), NORVASC (PFIZER LABORATORIES DIV PFIZER), NORVASC (Viatris Specialty LLC)
  Generic
AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (A-S Medication Solutions), AMLODIPINE BESYLATE (ACI Healthcare USA), AMLODIPINE BESYLATE (American Health Packaging), AMLODIPINE BESYLATE (Amneal Pharmaceuticals LLC), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Aphena Pharma Solutions - Tennessee), AMLODIPINE BESYLATE (Ascend Laboratories), AMLODIPINE BESYLATE (Aurobindo Pharma Limited), AMLODIPINE BESYLATE (AvKARE), AMLODIPINE BESYLATE (Bryant Ranch Prepack), AMLODIPINE BESYLATE (Bryant Ranch Prepack), AMLODIPINE BESYLATE (Bryant Ranch Prepack), AMLODIPINE BESYLATE (Bryant Ranch Prepack), AMLODIPINE BESYLATE (Bryant Ranch Prepack), AMLODIPINE BESYLATE (Bryant Ranch Prepack), AMLODIPINE BESYLATE (Cardinal Health 107), AMLODIPINE BESYLATE (Cipla USA), AMLODIPINE BESYLATE (Cipla USA), AMLODIPINE BESYLATE (DIRECT RX), AMLODIPINE BESYLATE (DIRECT RX), AMLODIPINE BESYLATE (Denton Pharma), AMLODIPINE BESYLATE (Denton Pharma), AMLODIPINE BESYLATE (DirectRX), AMLODIPINE BESYLATE (Direct_Rx), AMLODIPINE BESYLATE (Direct_Rx), AMLODIPINE BESYLATE (Direct_Rx), AMLODIPINE BESYLATE (Epic Pharma), AMLODIPINE BESYLATE (Exelan Pharmaceuticals), AMLODIPINE BESYLATE (Exelan Pharmaceuticals), AMLODIPINE BESYLATE (Greenstone LLC), AMLODIPINE BESYLATE (Lake Erie Medical DBA Quality Care Products LLC), AMLODIPINE BESYLATE (Legacy Pharmaceutical Packaging), AMLODIPINE BESYLATE (Legacy Pharmaceutical Packaging), AMLODIPINE BESYLATE (Major Pharmaceuticals), AMLODIPINE BESYLATE (NCS HealthCare of KY), AMLODIPINE BESYLATE (NCS HealthCare of KY), AMLODIPINE BESYLATE (Northwind Pharmaceuticals), AMLODIPINE BESYLATE (Northwind Pharmaceuticals), AMLODIPINE BESYLATE (Northwind Pharmaceuticals), AMLODIPINE BESYLATE (Northwind Pharmaceuticals), AMLODIPINE BESYLATE (Northwind Pharmaceuticals), AMLODIPINE BESYLATE (NuCare Pharmaceuticals), AMLODIPINE BESYLATE (NuCare Pharmaceuticals), AMLODIPINE BESYLATE (NuCare Pharmaceuticals), AMLODIPINE BESYLATE (NuCare Pharmaceuticals), AMLODIPINE BESYLATE (NuCare Pharmaceuticals), AMLODIPINE BESYLATE (NuCare Pharmaceuticals), AMLODIPINE BESYLATE (NuCare Pharmaceuticals), AMLODIPINE BESYLATE (Oxford Pharmaceuticals), AMLODIPINE BESYLATE (PD-Rx Pharmaceuticals), AMLODIPINE BESYLATE (PD-Rx Pharmaceuticals), AMLODIPINE BESYLATE (PD-Rx Pharmaceuticals), AMLODIPINE BESYLATE (PD-Rx Pharmaceuticals), AMLODIPINE BESYLATE (PD-Rx Pharmaceuticals), AMLODIPINE BESYLATE (POLYGEN PHARMACEUTICALS), AMLODIPINE BESYLATE (Pharmasource Meds), AMLODIPINE BESYLATE (Preferred Pharmaceuticals), AMLODIPINE BESYLATE (Preferred Pharmaceuticals), AMLODIPINE BESYLATE (Preferred Pharmaceuticals), AMLODIPINE BESYLATE (Preferred Pharmaceuticals), AMLODIPINE BESYLATE (Preferred Pharmaceuticals), AMLODIPINE BESYLATE (Preferred Pharmaceuticals), AMLODIPINE BESYLATE (Preferred Pharmaceuticals), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (Proficient Rx LP), AMLODIPINE BESYLATE (QPharma), AMLODIPINE BESYLATE (Quality Care Products), AMLODIPINE BESYLATE (Quality Care Products), AMLODIPINE BESYLATE (Quallent Pharmaceuticals Health LLC), AMLODIPINE BESYLATE (REMEDYREPACK), AMLODIPINE BESYLATE (REMEDYREPACK), AMLODIPINE BESYLATE (REMEDYREPACK), AMLODIPINE BESYLATE (REMEDYREPACK), AMLODIPINE BESYLATE (REMEDYREPACK), AMLODIPINE BESYLATE (REMEDYREPACK), AMLODIPINE BESYLATE (RPK Pharmaceuticals), AMLODIPINE BESYLATE (RPK Pharmaceuticals), AMLODIPINE BESYLATE (RPK Pharmaceuticals), AMLODIPINE BESYLATE (RPK Pharmaceuticals), AMLODIPINE BESYLATE (Redpharm Drug), AMLODIPINE BESYLATE (St. Mary's Medical Park Pharmacy), AMLODIPINE BESYLATE (St. Mary's Medical Park Pharmacy), AMLODIPINE BESYLATE (St. Mary's Medical Park Pharmacy), AMLODIPINE BESYLATE (Teva Pharmaceuticals), AMLODIPINE BESYLATE (Unichem Pharmaceuticals (USA)), AMLODIPINE BESYLATE (Zydus Lifesciences Limited), AMLODIPINE BESYLATE (Zydus Pharmaceuticals USA)
Formula
C20H25ClN2O5. C6H6O3S
Exact mass
566.149
Mol weight
567.0509
Structure
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG03231  Antihypertensive
  DG01928  Dihydropyridine calcium channel blocker
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2171
ATC code: C08CA01
Chemical structure group: DG00322
Product (DG00322): D00615<JP/US> D11881<US>
Product (mixture): D07569<JP> D08488<JP/US> D09743<JP/US> D09745<JP/US> D10243<JP> D10285<US> D10286<US> D10288<US> D10524<JP> D10805<JP> D11069<US>
Efficacy
Antihypertensive, Vasodilator, Calcium channel blocker
  Disease
Hypertension [DS:H01633]
Chronic stable angina [DS:H01632]
Vasospastic angina [DS:H01632]
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07036  Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
    C08CA Dihydropyridine derivatives
     C08CA01 Amlodipine
      D00615  Amlodipine besylate (USP) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Calcium Channel Blocking Agents, Dihydropyridines
   Amlodipine
    D00615  Amlodipine besylate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2171  Coronary dilators
     D00615  Amlodipine besylate (USP); Amlodipine besilate (JP18)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00322  Amlodipine
     D00615  Amlodipine besylate
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00322  Amlodipine
     D00615  Amlodipine besylate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00322  Amlodipine
     D00615  Amlodipine besylate
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01928  Dihydropyridine calcium channel blocker
   D00615  Amlodipine besylate
  DG03231  Antihypertensive
   D00615  Amlodipine besylate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D00615  Amlodipine besylate (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00615  Amlodipine besylate
  D00615  Amlodipine besylate tablets
  D00615  Amlodipine besilate orally disintegrating tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00615
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00322  Amlodipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00322  Amlodipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00322  Amlodipine
Other DBs
CAS: 111470-99-6
PubChem: 7847681
ChEBI: 2669
LigandBox: D00615
NIKKAJI: J417.608A
LinkDB
KCF data

ATOM        38
            1   C8y C    29.5695  -18.6304
            2   C8x C    28.3142  -19.3278
            3   C8x C    30.7550  -19.3278
            4   S4a S    29.5698  -17.2357
            5   C8x C    28.3142  -20.6528
            6   C8x C    30.7550  -20.6528
            7   O1d O    29.5698  -15.8409
            8   O1d O    28.1750  -17.2357
            9   O1d O    30.9645  -17.2357
            10  C8x C    29.5695  -21.3502
            11  C1y C    19.3368  -16.0762
            12  C2y C    20.5198  -15.3803
            13  C2y C    18.1539  -15.3803
            14  C8y C    19.3368  -18.4421
            15  C2y C    20.5198  -13.9886
            16  C7a C    21.7028  -16.0762
            17  C2y C    18.1539  -13.9886
            18  C7a C    16.9709  -16.0066
            19  C8y C    20.5198  -19.1380
            20  C8x C    18.1539  -19.1380
            21  N1x N    19.3368  -13.2927
            22  C1b C    21.7028  -13.2927
            23  O7a O    22.8858  -15.3803
            24  O6a O    21.7028  -17.3983
            25  C1a C    16.9709  -13.2927
            26  O7a O    15.7879  -15.3803
            27  O6a O    16.9709  -17.3983
            28  C8x C    20.5198  -20.4601
            29  X   Cl   21.7028  -18.4421
            30  C8x C    18.1539  -20.4601
            31  O2a O    22.8858  -13.9886
            32  C1b C    24.0687  -16.0762
            33  C1a C    14.6049  -16.0066
            34  C8x C    19.3368  -21.1560
            35  C1b C    24.0687  -13.2927
            36  C1a C    25.2517  -15.3803
            37  C1b C    25.2517  -13.9886
            38  N1a N    26.4347  -13.2927
BOND        39
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     4   9 2
            9     5  10 1
            10    6  10 2
            11   11  12 1
            12   11  13 1
            13   11  14 1
            14   12  15 2
            15   12  16 1
            16   13  17 2
            17   13  18 1
            18   14  19 1
            19   14  20 2
            20   15  21 1
            21   15  22 1
            22   16  23 1
            23   16  24 2
            24   17  25 1
            25   18  26 1
            26   18  27 2
            27   19  28 2
            28   19  29 1
            29   20  30 1
            30   22  31 1
            31   23  32 1
            32   26  33 1
            33   28  34 1
            34   31  35 1
            35   32  36 1
            36   35  37 1
            37   37  38 1
            38   17  21 1
            39   30  34 2

» Japanese version   » Back

KEGG   DRUG: Diltiazem hydrochloride
Entry
D00616                      Drug                                   
Name
Diltiazem hydrochloride (JP18/USP);
Cardizem (TN);
Cartia XT (TN);
Dilacor XR (TN);
Dilt-CD (TN)
Product
CARDIZEM (Bausch Health US LLC), CARDIZEM CD (Bausch Health US LLC), CARDIZEM LA (Bausch Health US LLC), DILTIAZEM HCL CD (Bryant Ranch Prepack), DILTIAZEM HCL CD (Oceanside Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Exela Pharma Sciences), TIAZAC (Bausch Health US)
  Generic
CARTIA (Actavis Pharma), CARTIA XT (DirectRx), DILTIAZEM HCI (HF Acquisition Co LLC), DILTIAZEM HCI (HF Acquisition Co LLC), DILTIAZEM HCL ER (Direct_Rx), DILTIAZEM HYDROCHLORIDE (A-S Medication Solutions), DILTIAZEM HYDROCHLORIDE (A-S Medication Solutions), DILTIAZEM HYDROCHLORIDE (A-S Medication Solutions), DILTIAZEM HYDROCHLORIDE (A-S Medication Solutions), DILTIAZEM HYDROCHLORIDE (A-S Medication Solutions), DILTIAZEM HYDROCHLORIDE (A-S Medication Solutions), DILTIAZEM HYDROCHLORIDE (Accord Healthcare), DILTIAZEM HYDROCHLORIDE (Actavis Pharma), DILTIAZEM HYDROCHLORIDE (American Health Packaging), DILTIAZEM HYDROCHLORIDE (American Health Packaging), DILTIAZEM HYDROCHLORIDE (Apotex Corp.), DILTIAZEM HYDROCHLORIDE (Athenex Pharmaceutical Division), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Bryant Ranch Prepack), DILTIAZEM HYDROCHLORIDE (Cardinal Health 107), DILTIAZEM HYDROCHLORIDE (Cipla USA), DILTIAZEM HYDROCHLORIDE (Denton Pharma), DILTIAZEM HYDROCHLORIDE (Edenbridge Pharmaceuticals LLC.), DILTIAZEM HYDROCHLORIDE (Eugia US LLC), DILTIAZEM HYDROCHLORIDE (GLENMARK PHARMACEUTICALS), DILTIAZEM HYDROCHLORIDE (Golden State Medical Supply), DILTIAZEM HYDROCHLORIDE (Hikma Pharmaceuticals USA), DILTIAZEM HYDROCHLORIDE (Hikma Pharmaceuticals USA), DILTIAZEM HYDROCHLORIDE (Hospira), DILTIAZEM HYDROCHLORIDE (Ingenus Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Major Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (McKesson Corporation dba SKY Packaging), DILTIAZEM HYDROCHLORIDE (Medical Purchasing Solutions), DILTIAZEM HYDROCHLORIDE (Medical Purchasing Solutions), DILTIAZEM HYDROCHLORIDE (Mylan Institutional), DILTIAZEM HYDROCHLORIDE (Mylan Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (NCS HealthCare of KY), DILTIAZEM HYDROCHLORIDE (NCS HealthCare of KY), DILTIAZEM HYDROCHLORIDE (NORTHSTAR RX LLC), DILTIAZEM HYDROCHLORIDE (Northstar Rx LLC), DILTIAZEM HYDROCHLORIDE (Northwind Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Northwind Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Northwind Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (OCEANSIDE PHARMACEUTICALS), DILTIAZEM HYDROCHLORIDE (Oceanside Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Oceanside Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Oceanside Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Par Pharmaceutical), DILTIAZEM HYDROCHLORIDE (Preferred Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Proficient Rx LP), DILTIAZEM HYDROCHLORIDE (REMEDYREPACK), DILTIAZEM HYDROCHLORIDE (REMEDYREPACK), DILTIAZEM HYDROCHLORIDE (REMEDYREPACK), DILTIAZEM HYDROCHLORIDE (REMEDYREPACK), DILTIAZEM HYDROCHLORIDE (REMEDYREPACK), DILTIAZEM HYDROCHLORIDE (REMEDYREPACK), DILTIAZEM HYDROCHLORIDE (RPK Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (ScieGen Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (ScieGen Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Slate Run Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Slate Run Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Sun Pharmaceutical Industries), DILTIAZEM HYDROCHLORIDE (Sun Pharmaceutical Industries), DILTIAZEM HYDROCHLORIDE (Sun Pharmaceutical Industries), DILTIAZEM HYDROCHLORIDE (TWi Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (TWi Pharmaceuticals), DILTIAZEM HYDROCHLORIDE (Teva Pharmaceuticals USA), DILTIAZEM HYDROCHLORIDE (Zydus Lifesciences Limited), DILTIAZEM HYDROCHLORIDE (Zydus Pharmaceuticals (USA)), DILTIAZEM HYDROCHLORIDE EXTENDED RELEASE (direct rx), DILTIAZEM HYDROCHLORIDE EXTENDED-RELEASE (AvKARE), DILTIAZEM HYDROCHLORIDE EXTENDED-RELEASE (Mayne Pharma), MATZIM LA (Actavis Pharma), TAZTIA (Actavis Pharma), TIADYLT ER (Bryant Ranch Prepack), TIADYLT ER (Zydus Lifesciences Limited), TIADYLT ER (Zydus Pharmaceuticals (USA))
Formula
C22H26N2O4S. HCl
Exact mass
450.138
Mol weight
450.9788
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG01653  Antiarrhythmics
 DG03231  Antihypertensive
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2171
ATC code: C05AE03 C08DB01
Chemical structure group: DG00331
Product (DG00331): D00616<JP/US>
Efficacy
Antiarrhythmic, Antihypertensive, Vasodilator (coronary), Calcium channel blocker
  Disease
Hypertension [DS:H01633]
Angina [DS:H01632]
Comment
Benzodiazepine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04024  cAMP signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07036  Calcium channel blocking drugs
map07037  Antiarrhythmic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AE Muscle relaxants
     C05AE03 Diltiazem
      D00616  Diltiazem hydrochloride (JP18/USP) <JP/US>
  C08 CALCIUM CHANNEL BLOCKERS
   C08D SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
    C08DB Benzothiazepine derivatives
     C08DB01 Diltiazem
      D00616  Diltiazem hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Antiarrhythmics
   Vaughn Williams-Class IV
    Diltiazem
     D00616  Diltiazem hydrochloride (JP18/USP)
  Calcium Channel Blocking Agents, Nondihydropyridines
   Diltiazem
    D00616  Diltiazem hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2171  Coronary dilators
     D00616  Diltiazem hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00331  Diltiazem
     D00616  Diltiazem hydrochloride
  DG01653  Antiarrhythmics
   DG00331  Diltiazem
    D00616  Diltiazem hydrochloride
  DG03231  Antihypertensive
   DG00331  Diltiazem
    D00616  Diltiazem hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00331  Diltiazem
     D00616  Diltiazem hydrochloride
Drug classes [BR:br08332]
 Cardiovascular agent
  DG03231  Antihypertensive
   D00616  Diltiazem hydrochloride
  DG01653  Antiarrhythmics
   D00616  Diltiazem hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D00616  Diltiazem hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00616  Diltiazem hydrochloride
  D00616  Diltiazem hydrochloride extended-release capsules
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00616
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00331  Diltiazem
  DG01653  Antiarrhythmics
   DG00331  Diltiazem
  DG03231  Antihypertensive
   DG00331  Diltiazem
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00331  Diltiazem
Other DBs
CAS: 33286-22-5
PubChem: 7847682
ChEBI: 645509
LigandBox: D00616
NIKKAJI: J253.795H
LinkDB
KCF data

ATOM        30
            1   C5x C    26.2434  -16.0394
            2   C1y C    25.4013  -14.9298
            3   C1y C    25.7365  -13.5730
            4   S2x S    26.9975  -12.9949
            5   N1y N    27.6492  -16.0646
            6   C8y C    28.2511  -13.6172
            7   C8y C    28.5376  -14.9859
            8   C8x C    29.8688  -15.4230
            9   C8x C    30.9130  -14.4886
            10  C8x C    30.6266  -13.1199
            11  C8x C    29.2952  -12.6828
            12  O5x O    25.5217  -17.2390
            13  C1b C    28.3273  -17.2894
            14  C8y C    24.7294  -12.6046
            15  C8x C    24.7294  -11.2046
            16  C8x C    23.5170  -10.5046
            17  C8y C    22.3045  -11.2046
            18  C8x C    22.3045  -12.6046
            19  C8x C    23.5170  -13.3046
            20  O2a O    21.1094  -10.5143
            21  C1a C    19.9260  -11.1974
            22  O7a O    24.0425  -15.2100
            23  C7a C    23.6044  -16.5300
            24  C1a C    22.2214  -16.8149
            25  O6a O    24.5233  -17.5636
            26  C1b C    29.7498  -17.3149
            27  N1c N    30.4175  -18.5206
            28  C1a C    31.8500  -18.5456
            29  C1a C    29.6920  -19.7271
            30  X   Cl   24.6400  -19.5300
BOND        31
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    6  11 2
            13    1  12 2
            14    5  13 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21    3  14 1 #Down
            22   17  20 1
            23   20  21 1
            24    2  22 1 #Down
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   13  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1

» Japanese version   » Back

KEGG   DRUG: Verapamil hydrochloride
Entry
D00619                      Drug                                   
Name
Verapamil hydrochloride (JP18/USP);
Calan (TN);
Covera-hs (TN);
Vasolan (TN);
Verelan (TN)
Product
VERAPAMIL HCI (HF Acquisition Co LLC), VERAPAMIL HYDROCHLORIDE (Bryant Ranch Prepack), VERAPAMIL HYDROCHLORIDE (Chartwell RX), VERAPAMIL HYDROCHLORIDE (EXELA PHARMA SCIENCES), VERAPAMIL HYDROCHLORIDE (EXELA PHARMA SCIENCES), VERAPAMIL HYDROCHLORIDE (Lannett Company), VERAPAMIL HYDROCHLORIDE (Medical Purchasing Solutions), VERAPAMIL HYDROCHLORIDE (Teva Pharmaceuticals), VERELAN (Lannett Company), VERELAN PM (Lannett Company)
  Generic
VERAPAMIL HCI (HF Acquisition Co LLC), VERAPAMIL HCI (HF Acquisition Co LLC), VERAPAMIL HCL (Direct_Rx), VERAPAMIL HYDROCHLORIDE (A-S Medication Solutions), VERAPAMIL HYDROCHLORIDE (A-S Medication Solutions), VERAPAMIL HYDROCHLORIDE (A-S Medication Solutions), VERAPAMIL HYDROCHLORIDE (A-S Medication Solutions), VERAPAMIL HYDROCHLORIDE (Actavis Pharma), VERAPAMIL HYDROCHLORIDE (American Health Packaging), VERAPAMIL HYDROCHLORIDE (Amneal Pharmaceuticals LLC), VERAPAMIL HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), VERAPAMIL HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), VERAPAMIL HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), VERAPAMIL HYDROCHLORIDE (Armas Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Armas Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (AvKARE), VERAPAMIL HYDROCHLORIDE (Baxter Healthcare Corporation), VERAPAMIL HYDROCHLORIDE (Bryant Ranch Prepack), VERAPAMIL HYDROCHLORIDE (Bryant Ranch Prepack), VERAPAMIL HYDROCHLORIDE (Cadila Pharmaceuticals Limited), VERAPAMIL HYDROCHLORIDE (Caplin Steriles Limited), VERAPAMIL HYDROCHLORIDE (Chartwell RX), VERAPAMIL HYDROCHLORIDE (Eugia US LLC), VERAPAMIL HYDROCHLORIDE (Gland Pharma Limited), VERAPAMIL HYDROCHLORIDE (Glenmark Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (HF Acquisition Co LLC), VERAPAMIL HYDROCHLORIDE (HF Acquisition Co LLC), VERAPAMIL HYDROCHLORIDE (HF Acquisition Co. LLC), VERAPAMIL HYDROCHLORIDE (Henry Schein), VERAPAMIL HYDROCHLORIDE (Henry Schein), VERAPAMIL HYDROCHLORIDE (Henry Schein), VERAPAMIL HYDROCHLORIDE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Hospira), VERAPAMIL HYDROCHLORIDE (Hospira), VERAPAMIL HYDROCHLORIDE (Lifestar Pharma LLC), VERAPAMIL HYDROCHLORIDE (Medical Purchasing Solutions), VERAPAMIL HYDROCHLORIDE (Medical Purchasing Solutions), VERAPAMIL HYDROCHLORIDE (Medical Purchasing Solutions), VERAPAMIL HYDROCHLORIDE (Medical Purchasing Solutions), VERAPAMIL HYDROCHLORIDE (Medical Purchasing Solutions), VERAPAMIL HYDROCHLORIDE (Methapharm), VERAPAMIL HYDROCHLORIDE (Micro Labs Limited), VERAPAMIL HYDROCHLORIDE (Mylan Institutional), VERAPAMIL HYDROCHLORIDE (Mylan Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Nivagen Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Northwind Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Northwind Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Northwind Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Northwind Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Northwind Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (NuCare Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (NuCare Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (NuCare Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (NuCare Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (NuCare Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (NuCare Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (NuCare Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (PD-Rx Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Preferred Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Preferred Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Preferred Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Proficient Rx LP), VERAPAMIL HYDROCHLORIDE (Proficient Rx LP), VERAPAMIL HYDROCHLORIDE (Proficient Rx LP), VERAPAMIL HYDROCHLORIDE (Proficient Rx LP), VERAPAMIL HYDROCHLORIDE (REMEDYREPACK), VERAPAMIL HYDROCHLORIDE (REMEDYREPACK), VERAPAMIL HYDROCHLORIDE (REMEDYREPACK), VERAPAMIL HYDROCHLORIDE (REMEDYREPACK), VERAPAMIL HYDROCHLORIDE (RPK Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (RPK Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (RPK Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Sagent Pharmaceuticals), VERAPAMIL HYDROCHLORIDE (Somerset Therapeutics), VERAPAMIL HYDROCHLORIDE (Zydus Lifesciences Limited), VERAPAMIL HYDROCHLORIDE (Zydus Pharmaceuticals USA), VERAPAMIL HYDROCHLORIDE (Zydus Pharmaceuticals USA)
Formula
C27H38N2O4. HCl
Exact mass
490.2598
Mol weight
491.0626
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG01653  Antiarrhythmics
  DG01807  Phenylalkylamine derivative
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Therapeutic category: 2129 2171
ATC code: C08DA01
Chemical structure group: DG00329
Product (DG00329): D00619<JP/US>
Product (mixture): D10282<US>
Efficacy
Antiarrhythmic, Vasodilator, Calcium channel blocker
  Disease
Hypertension [DS:H01633]
Angina [DS:H01632]
Atrial flutter [DS:H00731]
Comment
Phenylalkylamine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07036  Calcium channel blocking drugs
map07037  Antiarrhythmic drugs
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08D SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
    C08DA Phenylalkylamine derivatives
     C08DA01 Verapamil
      D00619  Verapamil hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Antiarrhythmics
   Vaughn Williams-Class IV
    Verapamil
     D00619  Verapamil hydrochloride (JP18/USP)
  Calcium Channel Blocking Agents, Nondihydropyridines
   Verapamil
    D00619  Verapamil hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2129  Others
     D00619  Verapamil hydrochloride (JP18/USP)
   217  Vasodilators
    2171  Coronary dilators
     D00619  Verapamil hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00329  Verapamil
     D00619  Verapamil hydrochloride
  DG01653  Antiarrhythmics
   DG01807  Phenylalkylamine derivative
    DG00329  Verapamil
     D00619  Verapamil hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00329  Verapamil
     D00619  Verapamil hydrochloride
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00329  Verapamil
     D00619  Verapamil hydrochloride
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00329  Verapamil
    D00619  Verapamil hydrochloride
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00329  Verapamil
    D00619  Verapamil hydrochloride
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   D00619  Verapamil hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D00619  Verapamil hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00619  Verapamil hydrochloride
  D00619  Verapamil hydrochloride tablets
  D00619  Verapamil hydrochloride injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00619
 Drug transporters
  D00619
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00329  Verapamil
  DG01653  Antiarrhythmics
   DG01807  Phenylalkylamine derivative
    DG00329  Verapamil
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00329  Verapamil
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00329  Verapamil
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00329  Verapamil
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00329  Verapamil
Other DBs
CAS: 152-11-4
PubChem: 7847685
ChEBI: 53188
LigandBox: D00619
NIKKAJI: J345.194A
LinkDB
KCF data

ATOM        34
            1   C1d C    21.2610  -18.3478
            2   C8y C    20.0604  -19.0472
            3   C1b C    22.4731  -19.0413
            4   C1c C    21.3019  -16.9957
            5   C8x C    18.8483  -18.3478
            6   C8x C    20.0604  -20.4457
            7   C1b C    23.6853  -18.3419
            8   C1a C    22.5142  -16.2848
            9   C1a C    20.0955  -16.2964
            10  C8y C    17.6362  -19.0472
            11  C8x C    18.8483  -21.1509
            12  C1b C    24.8917  -19.0296
            13  C8y C    17.6362  -20.4457
            14  O2a O    16.4183  -18.3478
            15  N1c N    26.1038  -18.3361
            16  O2a O    16.4183  -21.1509
            17  C1a C    15.2061  -19.0472
            18  C1b C    27.3159  -19.0239
            19  C1a C    26.1038  -16.8851
            20  C1a C    15.2061  -20.4515
            21  C1b C    28.5280  -18.3302
            22  C8y C    29.7284  -19.0180
            23  C8x C    30.9407  -18.3185
            24  C8x C    29.7345  -20.4107
            25  C8y C    32.1471  -19.0122
            26  C8x C    30.9464  -21.1101
            27  C8y C    32.1529  -20.4049
            28  O2a O    33.3592  -18.3070
            29  O2a O    33.3708  -21.1042
            30  C1a C    34.5772  -19.0005
            31  C1a C    34.5828  -20.3991
            32  C3b C    21.2610  -19.7452
            33  N3a N    21.2610  -21.1427
            34  X   Cl   31.2200  -23.3100
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   10  13 2
            13   10  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 2
            25   24  26 1
            26   25  27 1
            27   25  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   11  13 1
            32   26  27 2
            33    1  32 1
            34   32  33 3

» Japanese version   » Back

KEGG   DRUG: Amiodarone hydrochloride
Entry
D00636                      Drug                                   
Name
Amiodarone hydrochloride (JP18/USP);
Ancaron (TN);
Cordarone (TN);
Nexterone (TN)
Product
NEXTERONE (AMIODARONE HCI) (HF Acquisition Co LLC), NEXTERONE (Baxter Healthcare Corporation)
  Generic
AMIODARONE HCI (HF Acquisition Co LLC), AMIODARONE HCL (Bryant Ranch Prepack), AMIODARONE HCL (Bryant Ranch Prepack), AMIODARONE HYDROCHLORIDE (A-S Medication Solutions), AMIODARONE HYDROCHLORIDE (A-S Medication Solutions), AMIODARONE HYDROCHLORIDE (A-S Medication Solutions), AMIODARONE HYDROCHLORIDE (Advagen Pharma Limited), AMIODARONE HYDROCHLORIDE (American Health Packaging), AMIODARONE HYDROCHLORIDE (AuroMedics Pharma LLC), AMIODARONE HYDROCHLORIDE (Aurobindo Pharma Limited), AMIODARONE HYDROCHLORIDE (AvKARE), AMIODARONE HYDROCHLORIDE (AvPAK), AMIODARONE HYDROCHLORIDE (Bryant Ranch Prepack), AMIODARONE HYDROCHLORIDE (Cardinal Health 107), AMIODARONE HYDROCHLORIDE (Cardinal Health 107), AMIODARONE HYDROCHLORIDE (Chartwell RX), AMIODARONE HYDROCHLORIDE (Denton Pharma), AMIODARONE HYDROCHLORIDE (Dr. Reddy's Labratories), AMIODARONE HYDROCHLORIDE (Fresenius Kabi USA), AMIODARONE HYDROCHLORIDE (Gland Pharma Limited), AMIODARONE HYDROCHLORIDE (Golden State Medical Supply), AMIODARONE HYDROCHLORIDE (HF Acquisition Co LLC), AMIODARONE HYDROCHLORIDE (HF Acquisition Co LLC), AMIODARONE HYDROCHLORIDE (Henry Schein), AMIODARONE HYDROCHLORIDE (Hikma Pharmaceuticals USA), AMIODARONE HYDROCHLORIDE (Major Pharmaceuticals), AMIODARONE HYDROCHLORIDE (Mayne Pharma Commercial LLC), AMIODARONE HYDROCHLORIDE (McKesson Corporation dba SKY Packaging), AMIODARONE HYDROCHLORIDE (Medical Purchasing Solutions), AMIODARONE HYDROCHLORIDE (Medical Purchasing Solutions), AMIODARONE HYDROCHLORIDE (Medical Purchasing Solutions), AMIODARONE HYDROCHLORIDE (Medical Purchasing Solutions), AMIODARONE HYDROCHLORIDE (Mylan Institutional LLC), AMIODARONE HYDROCHLORIDE (Mylan Institutional LLC), AMIODARONE HYDROCHLORIDE (NCS HealthCare of KY), AMIODARONE HYDROCHLORIDE (REMEDYREPACK), AMIODARONE HYDROCHLORIDE (REMEDYREPACK), AMIODARONE HYDROCHLORIDE (REMEDYREPACK), AMIODARONE HYDROCHLORIDE (Taro Pharmaceuticals U.S.A.), AMIODARONE HYDROCHLORIDE (Unichem Pharmaceuticals (USA)), AMIODARONE HYDROCHLORIDE (Zydus Lifesciences Limited), AMIODARONE HYDROCHLORIDE (Zydus Pharmaceuticals USA), PACERONE (Aphena Pharma Solutions - Tennessee), PACERONE (Bryant Ranch Prepack), PACERONE (Upsher-Smith Laboratories)
Formula
C25H29I2NO3. HCl
Exact mass
681.0004
Mol weight
681.7725
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
 DG01653  Antiarrhythmics
  DG01648  Class III antiarrhythmic agent
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2129
ATC code: C01BD01
Chemical structure group: DG00204
Product (DG00204): D00636<JP/US>
Efficacy
Antiarrhythmic, Potassium channel blocker
Target
KCND3 [HSA:3752] [KO:K04893]
KCNH2 [HSA:3757] [KO:K04905]
KCNQ1 [HSA:3784] [KO:K04926]
KCNJ3 [HSA:3760] [KO:K04997]
KCNJ5 [HSA:3762] [KO:K04999]
KCNJ8 [HSA:3764] [KO:K05001]
KCNJ11 [HSA:3767] [KO:K05004]
KCNJ12 [HSA:3768] [KO:K05005]
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRB1 [HSA:153] [KO:K04141]
SCN1A [HSA:6323] [KO:K04833]
SCN2A [HSA:6326] [KO:K04834]
SCN3A [HSA:6328] [KO:K04836]
SCN4A [HSA:6329] [KO:K04837]
SCN5A [HSA:6331] [KO:K04838]
SCN8A [HSA:6334] [KO:K04840]
SCN9A [HSA:6335] [KO:K04841]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
map07232  Potassium channel blocking and opening drugs
Other map
map05320  Autoimmune thyroid disease
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BD Antiarrhythmics, class III
     C01BD01 Amiodarone
      D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Antiarrhythmics
   Vaughn Williams-Class III
    Amiodarone
     D00636  Amiodarone hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2129  Others
     D00636  Amiodarone hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01451  beta1-Adrenergic receptor agonist
     DG00204  Amiodarone
      D00636  Amiodarone hydrochloride
  DG01653  Antiarrhythmics
   DG01648  Class III antiarrhythmic agent
    DG00204  Amiodarone
     D00636  Amiodarone hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00204  Amiodarone
     D00636  Amiodarone hydrochloride
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   D00636  Amiodarone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    ADRB1
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    SCN2A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    SCN3A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    SCN4A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    SCN5A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    SCN8A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    SCN9A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    SCN10A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    SCN11A
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
   Potassium channels
    KCND3
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    KCNH2
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    KCNQ1
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
   Inward rectifier channels (Kir)
    KCNJ3
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    KCNJ5
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    KCNJ8
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    KCNJ11
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
    KCNJ12
     D00636  Amiodarone hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00636  Amiodarone hydrochloride
  D00636  Amiodarone hydrochloride tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00636
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01451  beta1-Adrenergic receptor agonist
     DG00204  Amiodarone
  DG01653  Antiarrhythmics
   DG01648  Class III antiarrhythmic agent
    DG00204  Amiodarone
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00204  Amiodarone
Other DBs
CAS: 19774-82-4
PubChem: 7847702
ChEBI: 2664
LigandBox: D00636
NIKKAJI: J231.357J
LinkDB
KCF data

ATOM        32
            1   X   Cl   30.8700  -29.7500
            2   C8x C    16.7300  -27.2300
            3   C8x C    16.7300  -28.6300
            4   C8x C    17.9424  -29.3300
            5   C8y C    19.1549  -28.6300
            6   C8y C    19.1549  -27.2300
            7   C8x C    17.9424  -26.5300
            8   O2x O    20.4864  -29.0626
            9   C8y C    21.3093  -27.9300
            10  C8y C    20.4864  -26.7974
            11  C5a C    20.4864  -25.3974
            12  C8y C    21.7108  -24.6902
            13  O5a O    19.2971  -24.7108
            14  C8x C    22.9237  -25.3902
            15  C8y C    24.1360  -24.6900
            16  C8y C    24.1357  -23.2900
            17  C8y C    22.9229  -22.5900
            18  C8x C    21.7105  -23.2902
            19  O2a O    25.3499  -22.5887
            20  X   I    25.3678  -25.4007
            21  X   I    22.9222  -21.2104
            22  C1b C    26.5641  -23.2894
            23  C1b C    27.7419  -22.6091
            24  N1c N    28.9383  -23.2997
            25  C1b C    30.1249  -22.6143
            26  C1b C    28.9387  -24.7097
            27  C1a C    30.1297  -25.3972
            28  C1a C    31.3168  -23.3024
            29  C1b C    22.6800  -27.9300
            30  C1b C    23.3800  -29.1424
            31  C1b C    24.7798  -29.1424
            32  C1a C    25.4703  -30.3380
BOND        33
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 2
            10    6  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   12  18 1
            20   16  19 1
            21   15  20 1
            22   17  21 1
            23   19  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   24  26 1
            28   26  27 1
            29   25  28 1
            30    9  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1

» Japanese version   » Back

KEGG   DRUG: Ranitidine hydrochloride
Entry
D00673                      Drug                                   
Name
Ranitidine hydrochloride (JP18/USP);
Zantac (TN)
Product
  Generic
RANITIDINE (Ajanta Pharma USA), RANITIDINE (Amneal Pharmaceuticals LLC), RANITIDINE (Amneal Pharmaceuticals of New York LLC), RANITIDINE (Aphena Pharma Solutions - Tennessee), RANITIDINE (Bryant Ranch Prepack), RANITIDINE (Medsource Pharmaceuticals), RANITIDINE (Pharmaceutical Associates), RANITIDINE HYDROCHLORIDE (Dr. Reddy's Laboratories Limited), RANITIDINE HYDROCHLORIDE (Sandoz), RANITIDINE HYDROCHLORIDE (Zydus Lifesciences Limited), RANITIDINE HYDROCHLORIDE (Zydus Lifesciences Limited), RANITIDINE HYDROCHLORIDE (Zydus Pharmaceuticals USA), RANITIDINE HYDROCHLORIDE (Zydus Pharmaceuticals USA)
Formula
C13H22N4O3S. HCl
Exact mass
350.1179
Mol weight
350.8647
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter substrate
 DG02854  SLC22A2 substrate
Transporter inhibitor
 DG02863  SLC22A2 inhibitor
Remark
ATC code: A02BA02
Chemical structure group: DG00018
Product (DG00018): D00673<US>
Efficacy
Anti-ulcerative, H2 receptor antagonist
  Disease
Duodenal ulcer [DS:H01634]
Zollinger-Ellison syndrome [DS:H01522]
Gastric ulcer [DS:H01634]
GERD [DS:H01602]
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Metabolism
Transporter: SLC22A2 [HSA:6582]
Interaction
CYP inhibition: CYP2D6 [HSA:1565], CYP3A [HSA:1576 1577 1551]
Transporter inhibition: SLC22A2 [HSA:6582]
Structure map
map07038  Antiulcer drugs
map07227  Histamine H2/H3 receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BA H2-receptor antagonists
     A02BA02 Ranitidine
      D00673  Ranitidine hydrochloride (JP18/USP) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Histamine2 (H2) Receptor Antagonists
   Ranitidine
    D00673  Ranitidine hydrochloride (JP18/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  09 Histamine H2 receptor blocker containing drugs
   D00673  Ranitidine hydrochloride (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Ranitidine
    D00673  Ranitidine hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00018  Ranitidine
     D00673  Ranitidine hydrochloride
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00018  Ranitidine
    D00673  Ranitidine hydrochloride
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00018  Ranitidine
    D00673  Ranitidine hydrochloride
 Transporter substrate
  DG02854  SLC22A2 substrate
   DG00018  Ranitidine
    D00673  Ranitidine hydrochloride
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG00018  Ranitidine
    D00673  Ranitidine hydrochloride
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01481  Histamine receptor H2 antagonist
   D00673  Ranitidine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D00673  Ranitidine hydrochloride (JP18/USP) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00673  Ranitidine hydrochloride
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00673
 Drug transporters
  D00673
Rx-to-OTC switch list in Japan [br08314.html]
 D00673
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00018  Ranitidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00018  Ranitidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00018  Ranitidine
 Transporter substrate
  DG02854  SLC22A2 substrate
   DG00018  Ranitidine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG00018  Ranitidine
Other DBs
CAS: 66357-59-3
PubChem: 7847739
ChEBI: 8777
LigandBox: D00673
NIKKAJI: J245.455F
LinkDB
KCF data

ATOM        22
            1   C8y C    19.1062  -21.6933
            2   O2x O    20.2292  -22.5356
            3   C8x C    19.5273  -20.3597
            4   C1b C    17.8427  -22.3952
            5   C8y C    21.3523  -21.6933
            6   C8x C    20.9311  -20.3597
            7   N1c N    16.6495  -21.6933
            8   C1b C    22.5455  -22.3952
            9   C1a C    15.4562  -22.3952
            10  C1a C    16.6495  -20.2895
            11  S2a S    23.7388  -21.6933
            12  C1b C    25.0022  -22.3952
            13  C1b C    26.1956  -21.6933
            14  N1b N    27.3890  -22.3952
            15  C2c C    28.5822  -21.6933
            16  C2b C    29.8457  -22.3952
            17  N1b N    28.5822  -20.2895
            18  N2b N    31.0389  -21.6933 #+
            19  C1a C    27.3890  -19.5875
            20  O3a O    31.0389  -20.2895 #-
            21  O3a O    32.2322  -22.3952
            22  X   Cl   30.1262  -25.5343
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 1
            10    8  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 2
            21    5   6 2

» Japanese version   » Back

KEGG   DRUG: Nefazodone hydrochloride
Entry
D00819                      Drug                                   
Name
Nefazodone hydrochloride (USP);
Serzone (TN)
Product
  Generic
NEFAZODONE HYDROCHLORIDE (Teva Pharmaceuticals USA)
Formula
C25H32ClN5O2. HCl
Exact mass
505.2011
Mol weight
506.4678
Structure
Simcomp
Remark
ATC code: N06AX06
Chemical structure group: DG00953
Product (DG00953): D00819<US>
Efficacy
Antidepressant
  Disease
Major depressive disorder [DS:H01646]
Comment
Phenylpiperazine derivative
Target
HTR2A [HSA:3356] [KO:K04157]
HTR2C [HSA:3358] [KO:K04157]
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Structure map
map07027  Antidepressants
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX06 Nefazodone
      D00819  Nefazodone hydrochloride (USP) <US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Nefazodone
    D00819  Nefazodone hydrochloride (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00819  Nefazodone hydrochloride (USP) <US>
   Serotonin
    HTR2A
     D00819  Nefazodone hydrochloride (USP) <US>
    HTR2C
     D00819  Nefazodone hydrochloride (USP) <US>
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00819
Other DBs
CAS: 82752-99-6
PubChem: 7847884
ChEBI: 7495
LigandBox: D00819
LinkDB
KCF data

ATOM        34
            1   N4y N    22.2563  -18.7591
            2   C8y C    22.6585  -17.4126
            3   C8y C    23.4221  -19.5696
            4   C1b C    21.0379  -19.4646
            5   N5x N    24.0750  -17.4419
            6   C1b C    21.7958  -16.2992
            7   N4y N    24.5357  -18.7067
            8   O5x O    23.4571  -20.9744
            9   C1b C    19.8196  -18.7650
            10  C1a C    22.3380  -14.9935
            11  C1b C    25.6374  -19.4238
            12  O2a O    18.6012  -19.4703
            13  C1b C    26.7741  -18.7126
            14  C8y C    17.3771  -18.7650
            15  C1b C    27.9167  -19.4238
            16  C8x C    16.1587  -19.4703
            17  C8x C    17.3771  -17.3543
            18  N1y N    29.0418  -18.6834
            19  C8x C    14.9520  -18.7650
            20  C8x C    16.1587  -16.6547
            21  C1x C    29.0418  -17.2786
            22  C1x C    30.2542  -19.3888
            23  C8x C    14.9520  -17.3543
            24  C1x C    30.2542  -16.5731
            25  C1x C    31.4726  -18.6834
            26  N1y N    31.4726  -17.2786
            27  C8y C    32.6967  -16.5731
            28  C8x C    32.6967  -15.1625
            29  C8x C    33.9210  -17.2786
            30  C8y C    33.9210  -14.4571
            31  C8x C    35.1334  -16.5731
            32  C8x C    35.1334  -15.1625
            33  X   Cl   33.9210  -13.0522
            34  X   Cl   34.2300  -20.5100
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 2
            20   18  21 1
            21   18  22 1
            22   19  23 2
            23   21  24 1
            24   22  25 1
            25   24  26 1
            26   26  27 1
            27   27  28 2
            28   27  29 1
            29   28  30 1
            30   29  31 2
            31   30  32 2
            32   30  33 1
            33    5   7 1
            34   20  23 1
            35   25  26 1
            36   31  32 1

» Japanese version   » Back

KEGG   DRUG: Fluoxetine hydrochloride
Entry
D00823                      Drug                                   
Name
Fluoxetine hydrochloride (JAN/USP);
Prozac (TN);
Sarafem (TN)
Product
FLUOXETINE HCL (Almatica Pharma), FLUOXETINE HCL (TWi Pharmaceuticals), PROZAC (Dista Products Company)
  Generic
FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (A-S Medication Solutions), FLUOXETINE (Advanced Rx Pharmacy of Tennessee), FLUOXETINE (Alembic Pharmaceuticals Limited), FLUOXETINE (Alembic Pharmaceuticals), FLUOXETINE (Alembic Pharmaceuticals), FLUOXETINE (American Health Packaging), FLUOXETINE (American Health Packaging), FLUOXETINE (Aphena Pharma Solutions - Tennessee), FLUOXETINE (Aurobindo Pharma Limited), FLUOXETINE (Aurobindo Pharma Limited), FLUOXETINE (Aurobindo Pharma Limited), FLUOXETINE (Aurobindo Pharma Limited), FLUOXETINE (AvKARE), FLUOXETINE (AvKARE), FLUOXETINE (BluePoint Laboratories), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Bryant Ranch Prepack), FLUOXETINE (Cadila Pharmaceuticals Limited), FLUOXETINE (Calvin Scott &), FLUOXETINE (Cardinal Health 107), FLUOXETINE (Chartwell RX), FLUOXETINE (DIRECT RX), FLUOXETINE (DIRECT RX), FLUOXETINE (Denton Pharma), FLUOXETINE (Direct_Rx), FLUOXETINE (Direct_Rx), FLUOXETINE (Dr.Reddy's Laboratories Limited), FLUOXETINE (Dr.Reddy's Laboratories), FLUOXETINE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), FLUOXETINE (Lake Erie Medical DBA Quality Care Products LLC), FLUOXETINE (Lannett Company), FLUOXETINE (Legacy Pharmaceutical Packaging), FLUOXETINE (MARKSANS PHARMA LIMITED), FLUOXETINE (Major Pharmaceuticals), FLUOXETINE (Major Pharmaceuticals), FLUOXETINE (Major Pharmaceuticals), FLUOXETINE (Medsource Pharmaceuticals), FLUOXETINE (Micro Labs Limited), FLUOXETINE (Modavar Pharmaceuticals LLC), FLUOXETINE (NCS HealthCare of KY), FLUOXETINE (NCS HealthCare of KY), FLUOXETINE (Nivagen Pharmaceuticals), FLUOXETINE (NorthStar Rx LLC), FLUOXETINE (NorthStar Rx LLC), FLUOXETINE (Northwind Pharmaceuticals), FLUOXETINE (Northwind Pharmaceuticals), FLUOXETINE (Northwind Pharmaceuticals), FLUOXETINE (Northwind Pharmaceuticals), FLUOXETINE (Northwind Pharmaceuticals), FLUOXETINE (Nostrum Laboratories), FLUOXETINE (NuCare Pharmaceuticals), FLUOXETINE (NuCare Pharmaceuticals), FLUOXETINE (NuCare Pharmaceuticals), FLUOXETINE (NuCare Pharmaceuticals), FLUOXETINE (PAI Holdings), FLUOXETINE (PD-Rx Pharmaceuticals), FLUOXETINE (PD-Rx Pharmaceuticals), FLUOXETINE (PD-Rx Pharmaceuticals), FLUOXETINE (PD-Rx Pharmaceuticals), FLUOXETINE (PEL HEALTHCARE LLC), FLUOXETINE (Par Pharmaceutical), FLUOXETINE (Preferred Pharmaceuticals), FLUOXETINE (Preferred Pharmaceuticals), FLUOXETINE (Preferred Pharmaceuticals), FLUOXETINE (Preferred Pharmaceuticals), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (Proficient Rx LP), FLUOXETINE (QPharma), FLUOXETINE (QPharma), FLUOXETINE (QUALLENT PHARMACEUTICALS HEALTH LLC), FLUOXETINE (Quality Care Products), FLUOXETINE (Quality Care Products), FLUOXETINE (RADHA PHARMACEUTICALS), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (REMEDYREPACK), FLUOXETINE (RPK Pharmaceuticals), FLUOXETINE (RPK Pharmaceuticals), FLUOXETINE (RPK Pharmaceuticals), FLUOXETINE (RPK Pharmaceuticals), FLUOXETINE (RPK Pharmaceuticals), FLUOXETINE (Redpharm Drug), FLUOXETINE (ScieGen Pharmaceuticals), FLUOXETINE (ScieGen Pharmaceuticals), FLUOXETINE (ScieGen Pharmaceuticals), FLUOXETINE (St. Mary's Medical Park Pharmacy), FLUOXETINE (Sun Pharmaceutical Industries), FLUOXETINE (TIME CAP LABORATORIES), FLUOXETINE (Teva Pharmaceuticals USA), FLUOXETINE (Teva Pharmaceuticals USA), FLUOXETINE (Torrent Pharmaceuticals Limited), FLUOXETINE (Vensun Pharmaceuticals), FLUOXETINE (Westminster Pharmaceuticals), FLUOXETINE HCL (Direct_Rx), FLUOXETINE HYDROCHLORIDE (ANI Pharmaceuticals), FLUOXETINE HYDROCHLORIDE (Alembic Pharmaceuticals Limited), FLUOXETINE HYDROCHLORIDE (Alvogen), FLUOXETINE HYDROCHLORIDE (Aphena Pharma Solutions - Tennessee), FLUOXETINE HYDROCHLORIDE (Bryant Ranch Prepack), FLUOXETINE HYDROCHLORIDE (Bryant Ranch Prepack), FLUOXETINE HYDROCHLORIDE (Bryant Ranch Prepack), FLUOXETINE HYDROCHLORIDE (Bryant Ranch Prepack), FLUOXETINE HYDROCHLORIDE (Bryant Ranch Prepack), FLUOXETINE HYDROCHLORIDE (Bryant Ranch Prepack), FLUOXETINE HYDROCHLORIDE (Bryant Ranch Prepack), FLUOXETINE HYDROCHLORIDE (Bryant Ranch Prepack), FLUOXETINE HYDROCHLORIDE (Dr. Reddy's Laboratories), FLUOXETINE HYDROCHLORIDE (Dr.Reddy's Laboratories Limited), FLUOXETINE HYDROCHLORIDE (Lupin Pharmaceuticals), FLUOXETINE HYDROCHLORIDE (Lupin Pharmaceuticals), FLUOXETINE HYDROCHLORIDE (NorthStar Rx LLC), FLUOXETINE HYDROCHLORIDE (Par Pharmaceutical), FLUOXETINE HYDROCHLORIDE (REMEDYREPACK), FLUOXETINE HYDROCHLORIDE (REMEDYREPACK), FLUOXETINE HYDROCHLORIDE (RPK Pharmaceuticals), FLUOXETINE HYDROCHLORIDE (Taro Pharmaceuticals U.S.A.), FLUOXETINE HYDROCHLORIDE (Upsher-Smith Laboratories), FLUOXETINE HYDROCHLORIDE (Upsher-Smith Laboratories)
Formula
C17H18F3NO. HCl
Exact mass
345.1107
Mol weight
345.7871
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor (SSRI)
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG01644  CYP2D6 substrate
Metabolizing enzyme inhibitor
 DG01933  CYP2C19 inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
ATC code: N06AB03
Chemical structure group: DG00942
Product (DG00942): D00823<US>
Product (mixture): D10206<US>
Efficacy
Antidepressant, Selective serotonin reuptake inhibitor (SSRI)
  Disease
Major depressive disorder [DS:H01646]
Obsessive compulsive disorder [DS:H01450]
Bulimia nervosa [DS:H01703]
Panic disorder [DS:H01664]
Bipolar I disorder [DS:H01653]
Comment
Ttreatment of premenstrual dysphoric disorder
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2C9 [HSA:1559], CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2C19 [HSA:1557], CYP2D6 [HSA:1565], CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AB Selective serotonin reuptake inhibitors
     N06AB03 Fluoxetine
      D00823  Fluoxetine hydrochloride (JAN/USP) <US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Fluoxetine
    D00823  Fluoxetine hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00942  Fluoxetine
    D00823  Fluoxetine hydrochloride
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00942  Fluoxetine
    D00823  Fluoxetine hydrochloride
  DG01644  CYP2D6 substrate
   DG00942  Fluoxetine
    D00823  Fluoxetine hydrochloride
 Metabolizing enzyme inhibitor
  DG01933  CYP2C19 inhibitor
   DG00942  Fluoxetine
    D00823  Fluoxetine hydrochloride
  DG01645  CYP2D6 inhibitor
   DG00942  Fluoxetine
    D00823  Fluoxetine hydrochloride
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00942  Fluoxetine
    D00823  Fluoxetine hydrochloride
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00942  Fluoxetine
    D00823  Fluoxetine hydrochloride
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   D00823  Fluoxetine hydrochloride
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D00823  Fluoxetine hydrochloride (JAN/USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00823
 Drug transporters
  D00823
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00823
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00942  Fluoxetine
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00942  Fluoxetine
  DG01644  CYP2D6 substrate
   DG00942  Fluoxetine
 Metabolizing enzyme inhibitor
  DG01933  CYP2C19 inhibitor
   DG00942  Fluoxetine
  DG01645  CYP2D6 inhibitor
   DG00942  Fluoxetine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00942  Fluoxetine
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00942  Fluoxetine
Other DBs
CAS: 56296-78-7
PubChem: 7847888
ChEBI: 5119
LigandBox: D00823
NIKKAJI: J300.115F
LinkDB
KCF data

ATOM        23
            1   C1c C    20.5485  -17.8188
            2   C8y C    20.5485  -19.2271
            3   O2a O    21.7758  -17.1117
            4   C1b C    19.3215  -17.1117
            5   C8x C    19.3155  -19.9342
            6   C8x C    21.7698  -19.9342
            7   C8y C    22.9971  -17.8188
            8   C1b C    18.1061  -17.8129
            9   C8x C    19.3155  -21.3482
            10  C8x C    21.7698  -21.3482
            11  C8x C    22.9971  -19.2271
            12  C8x C    24.2182  -17.1117
            13  N1b N    16.8788  -17.1059
            14  C8x C    20.5485  -22.0554
            15  C8x C    24.2125  -19.9342
            16  C8x C    25.4395  -17.8188
            17  C1a C    15.6575  -17.8129
            18  C8y C    25.4395  -19.2330
            19  C1d C    26.6609  -19.9400
            20  X   F    27.9757  -20.5770
            21  X   F    27.2511  -18.9409
            22  X   F    25.9713  -21.0737
            23  X   Cl   30.6600  -18.6900
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 2
            16   13  17 1
            17   15  18 2
            18   18  19 1
            19   19  20 1
            20   19  21 1
            21   19  22 1
            22   10  14 2
            23   16  18 1

» Japanese version   » Back

KEGG   DRUG: Fluvoxamine maleate
Entry
D00824                      Drug                                   
Name
Fluvoxamine maleate (JP18/USP);
Luvox (TN)
Product
  Generic
FLUVOXAMINE MALEATE (A-S Medication Solutions), FLUVOXAMINE MALEATE (ANI Pharmaceuticals), FLUVOXAMINE MALEATE (Actavis Pharma), FLUVOXAMINE MALEATE (Apotex Corp), FLUVOXAMINE MALEATE (Bionpharma), FLUVOXAMINE MALEATE (Bryant Ranch Prepack), FLUVOXAMINE MALEATE (PD-Rx Pharmaceuticals), FLUVOXAMINE MALEATE (Par Pharmaceutical), FLUVOXAMINE MALEATE (Preferred Pharmaceuticals), FLUVOXAMINE MALEATE (Preferred Pharmaceuticals), FLUVOXAMINE MALEATE (REMEDYREPACK), FLUVOXAMINE MALEATE (REMEDYREPACK), FLUVOXAMINE MALEATE (REMEDYREPACK), FLUVOXAMINE MALEATE (REMEDYREPACK), FLUVOXAMINE MALEATE (Upsher-Smith Laboratories)
Formula
C15H21F3N2O2. C4H4O4
Exact mass
434.1665
Mol weight
434.4068
Structure
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor (SSRI)
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Metabolizing enzyme inhibitor
 DG01634  CYP1A2 inhibitor
 DG01643  CYP2C9 inhibitor
 DG01933  CYP2C19 inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Remark
Therapeutic category: 1179
ATC code: N06AB08
Chemical structure group: DG00946
Product (DG00946): D00824<JP/US>
Efficacy
Antidepressant, Selective serotonin reuptake inhibitor (SSRI)
  Disease
Obsessive compulsive disorder [DS:H01450]
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP1A2 [HSA:1544], CYP2C19 [HSA:1557]; CYP2C9 [HSA:1559], CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AB Selective serotonin reuptake inhibitors
     N06AB08 Fluvoxamine
      D00824  Fluvoxamine maleate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Fluvoxamine
    D00824  Fluvoxamine maleate (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00824  Fluvoxamine maleate (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00946  Fluvoxamine
    D00824  Fluvoxamine maleate
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00946  Fluvoxamine
    D00824  Fluvoxamine maleate
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   DG00946  Fluvoxamine
    D00824  Fluvoxamine maleate
  DG01643  CYP2C9 inhibitor
   DG00946  Fluvoxamine
    D00824  Fluvoxamine maleate
  DG01933  CYP2C19 inhibitor
   DG00946  Fluvoxamine
    D00824  Fluvoxamine maleate
  DG01645  CYP2D6 inhibitor
   DG00946  Fluvoxamine
    D00824  Fluvoxamine maleate
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00946  Fluvoxamine
     D00824  Fluvoxamine maleate
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   D00824  Fluvoxamine maleate
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D00824  Fluvoxamine maleate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00824  Fluvoxamine maleate
  D00824  Fluvoxamine maleate tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00824
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00824
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01659  Selective serotonin reuptake inhibitor (SSRI)
   DG00946  Fluvoxamine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00946  Fluvoxamine
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   DG00946  Fluvoxamine
  DG01643  CYP2C9 inhibitor
   DG00946  Fluvoxamine
  DG01933  CYP2C19 inhibitor
   DG00946  Fluvoxamine
  DG01645  CYP2D6 inhibitor
   DG00946  Fluvoxamine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00946  Fluvoxamine
Other DBs
CAS: 61718-82-9
PubChem: 7847889
ChEBI: 5139
LigandBox: D00824
NIKKAJI: J529.785K
LinkDB
KCF data

ATOM        30
            1   C2b C    39.7600  -15.4000
            2   C2b C    41.4400  -15.4000
            3   C6a C    39.0600  -16.5900
            4   C6a C    42.1400  -16.5900
            5   O6a O    37.6600  -16.5900
            6   O6a O    39.7600  -17.7800
            7   O6a O    41.4400  -17.7800
            8   O6a O    43.5400  -16.5900
            9   C8y C    23.5900  -14.4900
            10  C8x C    23.5900  -15.8900
            11  C8x C    24.7800  -16.5900
            12  C8y C    26.0400  -15.8900
            13  C8x C    26.0400  -14.4900
            14  C8x C    24.7800  -13.7900
            15  C1d C    22.4000  -13.7900
            16  X   F    21.1400  -13.0900
            17  X   F    23.0300  -12.5300
            18  X   F    21.7700  -15.0500
            19  C2c C    27.2300  -16.5900
            20  C1b C    28.4900  -15.8900
            21  N2b N    27.2300  -17.9900
            22  O2a O    28.4900  -18.6900
            23  C1b C    29.6800  -17.9900
            24  C1b C    30.8700  -18.6900
            25  N1a N    32.0600  -17.9900
            26  C1b C    29.6100  -16.5900
            27  C1b C    30.8700  -15.8900
            28  C1b C    32.0600  -16.5900
            29  O2a O    33.2500  -15.8900
            30  C1a C    34.4400  -16.5900
BOND        29
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13    9  14 1
            14    9  15 1
            15   15  16 1
            16   15  17 1
            17   15  18 1
            18   12  19 1
            19   19  20 1
            20   19  21 2
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   20  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1

» Japanese version   » Back

KEGG   DRUG: Erythromycin estolate
Entry
D00851                      Drug                                   
Name
Erythromycin estolate (USP);
Erythromycin estorate (JAN);
Ilosone (TN)
Formula
C40H71NO14. C12H26O4S
Exact mass
1055.6426
Mol weight
1056.3875
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01874  14-membered ring macrolide antibiotic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Same as: C08031
ATC code: D10AF02 J01FA01 S01AA17
Chemical structure group: DG00436
Product (DG00436): D00140<JP/US> D01361<JP/US> D02009<JP/US> D02184<JP/US>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
Comment
Active form of prodrug: Erythromycin [DR:D00140]
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07020  Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AF Antiinfectives for treatment of acne
     D10AF02 Erythromycin
      D00851  Erythromycin estolate (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA01 Erythromycin
      D00851  Erythromycin estolate (USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA17 Erythromycin
      D00851  Erythromycin estolate (USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01874  14-membered ring macrolide antibiotic
    DG00436  Erythromycin
     D00851  Erythromycin estolate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00436  Erythromycin
    D00851  Erythromycin estolate
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00436  Erythromycin
    D00851  Erythromycin estolate
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00436  Erythromycin
    D00851  Erythromycin estolate
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D00851  Erythromycin estolate (USP)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00851
 Drug transporters
  D00851
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01874  14-membered ring macrolide antibiotic
    DG00436  Erythromycin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00436  Erythromycin
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00436  Erythromycin
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00436  Erythromycin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    DG00436  Erythromycin
Other DBs
CAS: 3521-62-8
PubChem: 7847916
ChEBI: 4846
LigandBox: D00851
NIKKAJI: J383.158B
LinkDB
KCF data

ATOM        72
            1   C1y C     8.6520  -15.8825
            2   C1z C     8.6520  -14.5689
            3   C1y C     7.5110  -16.5339
            4   O2a O    11.1010  -16.9101
            5   C1x C     7.5110  -13.9120
            6   O1a O     9.6429  -13.6171
            7   C1a C     9.8879  -14.9862
            8   C1y C     7.5110  -17.8476
            9   C1a C     6.5756  -15.5493
            10  C1y C    13.0541  -16.0150
            11  C1y C     7.5110  -12.5928
            12  O2a O     8.2235  -19.1557
            13  C1y C     6.3810  -18.5045
            14  C1y C    14.1798  -16.6811
            15  O2x O    13.0658  -14.7018
            16  C5x C     6.3810  -11.9414
            17  C1a C     8.6520  -11.9414
            18  C1y C     9.6844  -19.5584
            19  C7x C     5.2399  -17.8476
            20  C1a C     6.3810  -19.8180
            21  C1y C    15.3897  -16.0436
            22  O7a O    14.2385  -18.8086
            23  C1y C    14.2129  -14.0616
            24  C1y C     5.2399  -12.5928
            25  O5x O     6.3810  -10.6277
            26  C1x C     9.6844  -20.8666
            27  O2x O    10.8257  -18.9017
            28  O7x O     5.2399  -16.5339
            29  O6a O     4.2211  -18.7605
            30  C1x C    15.4060  -14.7352
            31  N1c N    16.4526  -16.7069
            32  C1a C    14.2319  -12.7505
            33  C1y C     5.2399  -13.9120
            34  C1a C     4.1044  -11.9414
            35  C1z C    10.8257  -21.5290
            36  C1y C    11.9555  -19.5584
            37  C1y C     4.1044  -15.8825
            38  C1z C     4.1044  -14.5689
            39  O1a O     6.3810  -14.5689
            40  C1y C    11.9555  -20.8666
            41  O2a O    10.8257  -22.8038
            42  C1a C    12.2172  -22.4754
            43  C1a C    13.0967  -18.9073
            44  C1b C     2.9687  -16.5339
            45  C1a C     2.9020  -15.1142
            46  O1a O     2.9020  -13.9065
            47  O1a O    13.0967  -21.5290
            48  C1a C    11.8832  -23.7278
            49  C1a C     3.0025  -17.6137
            50  C1a C    17.6537  -16.0252
            51  C7a C    15.3913  -19.4848
            52  O6a O    15.3913  -20.8340
            53  C1b C    16.5282  -18.8337
            54  C1a C    17.6754  -19.5017
            55  C1a C    16.4526  -18.0561
            56  C1b C    36.4700  -17.3600
            57  C1b C    35.2576  -18.0600
            58  C1b C    34.0621  -17.3696
            59  C1b C    32.8747  -18.0551
            60  C1b C    31.6835  -17.3671
            61  C1b C    30.4940  -18.0538
            62  C1b C    29.3039  -17.3665
            63  C1b C    28.1138  -18.0535
            64  C1b C    26.9240  -17.3663
            65  C1b C    25.7338  -18.0534
            66  C1b C    24.5440  -17.3662
            67  O2a O    23.3538  -18.0534
            68  C1a C    37.6824  -18.0600
            69  S4a S    21.9812  -18.0478
            70  O1d O    20.5800  -18.0709
            71  O1d O    21.9726  -16.6600
            72  O1d O    21.9900  -19.4600
BOND        73
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9    10   4 1 #Down
            10    5  11 1
            11    8  12 1 #Down
            12    8  13 1
            13   10  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   18  12 1 #Down
            18   13  19 1
            19   13  20 1 #Up
            20   14  21 1
            21   14  22 1 #Up
            22   15  23 1
            23   16  24 1
            24   16  25 2
            25   18  26 1
            26   18  27 1
            27   19  28 1
            28   19  29 2
            29   21  30 1
            30   21  31 1 #Down
            31   23  32 1 #Down
            32   24  33 1
            33   24  34 1 #Up
            34   26  35 1
            35   27  36 1
            36   28  37 1
            37   33  38 1
            38   33  39 1 #Up
            39   35  40 1
            40   35  41 1 #Down
            41   35  42 1
            42   36  43 1 #Up
            43   37  44 1 #Down
            44   38  45 1 #Down
            45   38  46 1 #Up
            46   40  47 1 #Down
            47   41  48 1
            48   44  49 1
            49   23  30 1
            50   36  40 1
            51   37  38 1
            52   31  50 1
            53   22  51 1
            54   51  52 2
            55   51  53 1
            56   53  54 1
            57   31  55 1
            58   56  57 1
            59   57  58 1
            60   58  59 1
            61   59  60 1
            62   60  61 1
            63   61  62 1
            64   62  63 1
            65   63  64 1
            66   64  65 1
            67   65  66 1
            68   66  67 1
            69   56  68 1
            70   67  69 1
            71   69  70 1
            72   69  71 2
            73   69  72 2

» Japanese version   » Back

KEGG   DRUG: Miconazole nitrate
Entry
D00882                      Drug                                   
Name
Miconazole nitrate (JP18/USP);
Micatin (TN);
Monistat (TN)
Product
  Generic
MICONAZOLE NITRATE (Actavis Pharma)
Formula
C18H14Cl4N2O. HNO3
Exact mass
476.9817
Mol weight
479.1414
Structure
Simcomp
Class
Antifungal
 DG01883  Imidazole antifungal
Metabolizing enzyme inhibitor
 DG01643  CYP2C9 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Remark
Same as: C08070
Therapeutic category: 2529 2655
ATC code: A01AB09 A07AC01 D01AC02 G01AF04 J02AB01 S02AA13
Chemical structure group: DG00004
Product (DG00004): D00416<JP/US> D00882<JP/US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
  Disease
Vulvovaginal candidiasis [DS:H00363]
Comment
Imidazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
CYP inhibition: CYP2C9 [HSA:1559], CYP3A [HSA:1576 1577 1551]
Structure map
map07026  Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB09 Miconazole
      D00882  Miconazole nitrate (JP18/USP) <JP/US>
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AC Imidazole derivatives
     A07AC01 Miconazole
      D00882  Miconazole nitrate (JP18/USP) <JP/US>
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC02 Miconazole
      D00882  Miconazole nitrate (JP18/USP) <JP/US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF04 Miconazole
      D00882  Miconazole nitrate (JP18/USP) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AB Imidazole derivatives
     J02AB01 Miconazole
      D00882  Miconazole nitrate (JP18/USP) <JP/US>
 S SENSORY ORGANS
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA13 Miconazole
      D00882  Miconazole nitrate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antifungals
  Miconazole
   D00882  Miconazole nitrate (JP18/USP)
 Dermatological Agents
  Topical Anti-infectives
   Antifungals, dermatological
    Miconazole
     D00882  Miconazole nitrate (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  25  Urogenital and anal organ agents
   252  Genital organ agents
    2529  Others
     D00882  Miconazole nitrate (JP18/USP)
  26  Epidermides
   265  Antiparasitic dermatosis agents
    2655  Imidazoles
     D00882  Miconazole nitrate (JP18/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Drugs for women
  51 Other drugs for women
   D00882  Miconazole nitrate (JP18/USP)
 Agents for integumentary system
  58 Ringworm drugs
   D00882  Miconazole nitrate (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Miconazole
    D00882  Miconazole nitrate (JP18/USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Miconazole
    D00882  Miconazole nitrate (JP18/USP)
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00004  Miconazole
    D00882  Miconazole nitrate
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   DG00004  Miconazole
    D00882  Miconazole nitrate
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00004  Miconazole
    D00882  Miconazole nitrate
Drug classes [BR:br08332]
 Antifungal
  DG01883  Imidazole antifungal
   D00882  Miconazole nitrate
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    D00882  Miconazole nitrate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00882  Miconazole nitrate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00882
Rx-to-OTC switch list in the USA [br08315.html]
 D00882
Rx-to-OTC switch list in Japan [br08314.html]
 D00882
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00004  Miconazole
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   DG00004  Miconazole
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00004  Miconazole
Antimicrobials abbreviations [BR:br08327]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    DG00004  Miconazole
Other DBs
CAS: 22832-87-7
PubChem: 7847946
ChEBI: 6924
LigandBox: D00882
NIKKAJI: J290.015G
LinkDB
KCF data

ATOM        29
            1   N2b N    27.6357  -20.3006 #+
            2   O1b O    26.4299  -20.9879
            3   O3a O    27.6298  -18.9026
            4   O3a O    28.8414  -20.9996 #-
            5   C8y C    26.1100  -13.3000
            6   C8x C    26.1100  -14.7000
            7   C8y C    27.3000  -15.4000
            8   C8y C    28.5600  -14.7000
            9   C8x C    28.5600  -13.3000
            10  C8x C    27.3000  -12.6000
            11  C1b C    29.7500  -15.4000
            12  O2a O    31.0100  -14.7000
            13  C1c C    32.2000  -15.4000
            14  C1b C    33.3900  -14.7000
            15  N4y N    34.6500  -15.4000
            16  X   Cl   27.3000  -16.8000
            17  X   Cl   24.9200  -12.6000
            18  C8y C    32.2000  -16.8000
            19  C8y C    31.0100  -17.5000
            20  C8x C    31.0100  -18.9000
            21  C8y C    32.2000  -19.6000
            22  C8x C    33.3900  -18.9000
            23  C8x C    33.3900  -17.5000
            24  X   Cl   29.8200  -16.8000
            25  X   Cl   32.2000  -21.0000
            26  C8x C    34.6500  -16.8000
            27  N5x N    35.9800  -17.2200
            28  C8x C    36.7500  -16.1000
            29  C8x C    35.9800  -14.9800
BOND        30
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   6 2
            5     6   7 1
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9     5  10 1
            10    8  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    7  16 1
            16    5  17 1
            17   13  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   18  23 1
            24   19  24 1
            25   21  25 1
            26   15  26 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   15  29 1

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