KEGG   DRUG: Metyrapone
Entry
D00410                      Drug                                   
Name
Metyrapone (JP18/USP/INN);
Metopirone (TN)
Product
METOPIRONE (HRA Pharma Rare Diseases)
Formula
C14H14N2O
Exact mass
226.1106
Mol weight
226.2738
Structure
Simcomp
Remark
Same as: C07205
Therapeutic category: 2499 7223
ATC code: V04CD01
Chemical structure group: DG01166
Product (DG01166): D00410<JP/US>
Efficacy
Diagnostic aid (pituitary function determination)
Comment
Corticosteroid synthesis inhibitor
For testing hypothalamic-pituitary ACTH function
Target
CYP11B1 [HSA:1584] [KO:K00497]
  Pathway
hsa00140  Steroid hormone biosynthesis
  Network
nt06310  CRH-ACTH-cortisol signaling
nt06360  Cushing syndrome
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CD Tests for pituitary function
     V04CD01 Metyrapone
      D00410  Metyrapone (JP18/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00410  Metyrapone (JP18/USP/INN)
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   722  Various function testing reagents
    7223  Diagnostic reagents for endocrine function
     D00410  Metyrapone (JP18/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP11B1
     D00410  Metyrapone (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00410  Metyrapone
Other DBs
CAS: 54-36-4
PubChem: 7847476
ChEBI: 44241
PDB-CCD: MYT[PDBj]
LigandBox: D00410
NIKKAJI: J1.369B
LinkDB
KCF data

ATOM        17
            1   C8x C    20.8616  -15.2674
            2   N5x N    20.8616  -16.6682
            3   C8x C    22.0747  -17.3686
            4   C8y C    23.2878  -16.6682
            5   C8x C    23.2878  -15.2674
            6   C8x C    22.0747  -14.5670
            7   C5a C    24.5196  -17.3796
            8   C1d C    25.7255  -16.6835
            9   C8y C    26.9085  -17.3667
            10  O5a O    24.5193  -18.7693
            11  C8x C    26.9084  -18.7692
            12  C8x C    28.1214  -19.4697
            13  C8x C    29.3346  -18.7694
            14  N5x N    29.3347  -17.3669
            15  C8x C    28.1216  -16.6664
            16  C1a C    26.7155  -15.6935
            17  C1a C    24.7356  -15.6935
BOND        18
            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    7  10 2
            11    9  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    9  15 1
            17    8  16 1
            18    8  17 1

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KEGG   DRUG: Levoketoconazole
Entry
D10950                      Drug                                   
Name
Levoketoconazole (USAN/INN);
Recorlev (TN)
Product
RECORLEV (Xeris Pharmaceuticals)
Formula
C26H28Cl2N4O4
Exact mass
530.1488
Mol weight
531.4309
Structure
Simcomp
Remark
ATC code: H02CA04
Product: D10950<US>
Efficacy
Cortisol and testosterone synthesis inhibitor
  Disease
Cushing's syndrome [DS:H01431]
Comment
Treatment of Cushing's syndrome
Target
CYP11B1 [HSA:1584] [KO:K00497]
CYP11A1 [HSA:1583] [KO:K00498]
CYP17A1 [HSA:1586] [KO:K00512]
  Pathway
hsa00140  Steroid hormone biosynthesis
hsa04927  Cortisol synthesis and secretion
hsa04934  Cushing syndrome
  Network
nt06310  CRH-ACTH-cortisol signaling
nt06360  Cushing syndrome
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02C ANTIADRENAL PREPARATIONS
    H02CA Anticorticosteroids
     H02CA04 Levoketoconazole
      D10950  Levoketoconazole (USAN/INN) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Levoketoconazole
   D10950  Levoketoconazole (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP17A1
     D10950  Levoketoconazole (USAN/INN) <US>
    CYP11B1
     D10950  Levoketoconazole (USAN/INN) <US>
    CYP11A1
     D10950  Levoketoconazole (USAN/INN) <US>
Other DBs
CAS: 142128-57-2
PubChem: 342581802
PDB-CCD: KLN[PDBj]
LinkDB
KCF data

ATOM        36
            1   C1z C    13.5284  -16.2089
            2   C8y C    12.3295  -15.5188
            3   O2x O    13.9555  -17.5248
            4   C1b C    12.4933  -17.1155
            5   O2x O    14.6515  -15.3900
            6   C8y C    12.3295  -14.1325
            7   C8x C    11.1304  -16.2089
            8   C1y C    15.3417  -17.5248
            9   N4y N    11.0429  -17.1212
            10  C1x C    15.7802  -16.2089
            11  C8x C    11.1304  -13.4424
            12  X   Cl   13.5284  -13.4424
            13  C8x C     9.9315  -15.5188
            14  C1b C    16.7628  -18.2968
            15  C8x C     9.9140  -16.3025
            16  C8x C    10.6100  -18.4372
            17  C8y C     9.9315  -14.1325
            18  O2a O    18.1256  -17.3669
            19  C8x C     8.7911  -17.1212
            20  N5x N     9.2238  -18.4372
            21  X   Cl    8.7327  -13.4424
            22  C8y C    19.5177  -17.3728
            23  C8x C    20.2078  -18.5775
            24  C8x C    20.2195  -16.1737
            25  C8x C    21.5939  -18.5834
            26  C8x C    21.5998  -16.1795
            27  C8y C    22.2899  -17.3786
            28  N1y N    23.6701  -17.3845
            29  C1x C    24.3602  -18.5892
            30  C1x C    24.3662  -16.1912
            31  C1x C    25.7465  -18.5951
            32  C1x C    25.7523  -16.1912
            33  N1y N    26.4424  -17.3903
            34  C5a C    27.8287  -17.3262
            35  C1a C    28.5129  -18.6009
            36  O5a O    28.5246  -16.2029
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

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KEGG   DRUG: Mitotane
Entry
D00420                      Drug                                   
Name
Mitotane (JAN/USP/INN);
Lysodren (TN)
Product
LYSODREN (HRA Pharma Rare Diseases)
Formula
C14H10Cl4
Exact mass
317.9537
Mol weight
320.0412
Structure
Simcomp
Remark
Therapeutic category: 2499
ATC code: L01XX23
Product: D00420<JP/US>
Efficacy
Antineoplastic, Steroid biosynthesis inhibitor
  Disease
Adrenal cortical carcinoma [DS:H00033]
Target
CYP17A1 [HSA:1586] [KO:K00512]
  Pathway
hsa00140  Steroid hormone biosynthesis
hsa04934  Cushing syndrome
  Network
nt06310  CRH-ACTH-cortisol signaling
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX23 Mitotane
      D00420  Mitotane (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antineoplastics, Other
   Mitotane
    D00420  Mitotane (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00420  Mitotane (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP17A1
     D00420  Mitotane (JAN/USP/INN) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00420
Other DBs
CAS: 53-19-0
PubChem: 7847486
ChEBI: 6954
LigandBox: D00420
NIKKAJI: J1.366H
LinkDB
KCF data

ATOM        18
            1   C8x C     8.6800  -15.2600
            2   C8x C     8.6800  -16.6600
            3   C8x C     9.8924  -17.3600
            4   C8x C    11.1049  -16.6600
            5   C8y C    11.1049  -15.2600
            6   C8y C     9.8924  -14.5600
            7   C8x C    13.5297  -16.6600
            8   C8y C    13.5297  -15.2600
            9   C1c C    12.3173  -14.5600
            10  C8x C    14.7422  -17.3600
            11  C8y C    15.9546  -16.6600
            12  C8x C    15.9546  -15.2600
            13  C8x C    14.7422  -14.5600
            14  X   Cl    9.8924  -13.1602
            15  C1c C    12.3173  -13.1600
            16  X   Cl   13.5318  -12.4588
            17  X   Cl   11.1069  -12.4612
            18  X   Cl   17.1711  -17.3623
BOND        19
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    6  14 1
            16    9  15 1
            17   15  16 1
            18   15  17 1
            19   11  18 1

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