KEGG   DRUG: Flutamide
Entry
D00586                      Drug                                   
Name
Flutamide (JP18/USP/INN);
Eulexin (TN)
Product
  Generic
EULEXIN (Waylis Therapeutics LLC), FLUTAMIDE (Cipla USA)
Formula
C11H11F3N2O3
Exact mass
276.0722
Mol weight
276.2119
Structure
Simcomp
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01624  Flutamide-type antiandrogen
Remark
Same as: C07653
Therapeutic category: 4291
ATC code: L02BB01
Product: D00586<JP/US>
Efficacy
Antineoplastic, Androgen receptor antagonist
  Disease
Prostate Carcinoma [DS:H00024]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
hsa05215  Prostate cancer
  Network
nt06272  Prostate cancer
Interaction
Structure map
map07043  Antineoplastics - hormones
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB01 Flutamide
      D00586  Flutamide (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Flutamide
    D00586  Flutamide (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00586  Flutamide (JP18/USP/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D00586  Flutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D00586  Flutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00586  Flutamide (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00586  Flutamide
Other DBs
CAS: 13311-84-7
PubChem: 7847652
ChEBI: 5132
LigandBox: D00586
NIKKAJI: J8.099C
LinkDB
KCF data

ATOM        19
            1   C8x C    37.5200  -20.3000
            2   C8y C    38.7100  -19.6700
            3   C8x C    36.2600  -19.6700
            4   C8y C    38.7100  -18.2700
            5   N2b N    39.9000  -20.3000 #+
            6   C8y C    36.2600  -18.2700
            7   C8x C    37.5200  -17.5700
            8   O3a O    39.9000  -21.7000
            9   O3a O    41.1600  -19.6000 #-
            10  N1b N    35.0700  -17.5700
            11  C5a C    33.8800  -18.2700
            12  C1c C    32.6900  -17.5700
            13  O5a O    33.8800  -19.6000
            14  C1a C    31.4300  -18.2700
            15  C1a C    32.6900  -16.1700
            16  C1d C    39.9253  -17.5749
            17  X   F    41.1377  -16.8749
            18  X   F    39.2253  -16.3625
            19  X   F    40.6253  -18.7874
BOND        19
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1
            14   12  15 1
            15    6   7 1
            16    4  16 1
            17   16  17 1
            18   16  18 1
            19   16  19 1

» Japanese version   » Back

KEGG   DRUG: Bicalutamide
Entry
D00961                      Drug                                   
Name
Bicalutamide (JP18/USP/INN);
Casodex (TN)
Product
BICALUTAMIDE (ANI Pharmaceuticals), CASODEX (ANI Pharmaceuticals)
  Generic
BICALUTAMIDE (Accord Healthcare), BICALUTAMIDE (Golden State Medical Supply), BICALUTAMIDE (Major Pharmaceuticals), BICALUTAMIDE (Northstar RxLLC), BICALUTAMIDE (Proficient Rx LP), BICALUTAMIDE (Proficient Rx LP), BICALUTAMIDE (Sun Pharmaceutical Industries)
Formula
C18H14F4N2O4S
Exact mass
430.061
Mol weight
430.3734
Structure
Simcomp
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01624  Flutamide-type antiandrogen
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Remark
Same as: C08160
Therapeutic category: 4291
ATC code: L02BB03
Product: D00961<JP/US>
Efficacy
Antineoplastic, Androgen receptor antagonist
  Disease
Prostate cancer [DS:H00024]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
hsa05215  Prostate cancer
  Network
nt06272  Prostate cancer
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Structure map
map07043  Antineoplastics - hormones
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB03 Bicalutamide
      D00961  Bicalutamide (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Bicalutamide
    D00961  Bicalutamide (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00961  Bicalutamide (JP18/USP/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D00961  Bicalutamide
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D00961  Bicalutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D00961  Bicalutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00961  Bicalutamide (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00961  Bicalutamide
  D00961  Bicalutamide tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00961
Other DBs
CAS: 90357-06-5
PubChem: 7848024
ChEBI: 3090
PDB-CCD: 0U9[PDBj]
LigandBox: D00961
NIKKAJI: J391.515H
LinkDB
KCF data

ATOM        29
            1   C8y C    41.7900  -19.3200
            2   C8y C    41.7900  -20.7200
            3   C8x C    40.5300  -18.6200
            4   C1d C    42.9800  -18.6200
            5   C8x C    40.5300  -21.4200
            6   C3b C    42.9800  -21.4200
            7   C8y C    39.3400  -19.3200
            8   X   F    44.1700  -17.9200
            9   X   F    42.2800  -17.4300
            10  X   F    43.6800  -19.8100
            11  C8x C    39.3400  -20.7200
            12  N3a N    44.1700  -22.1200
            13  N1b N    38.1500  -18.6200
            14  C5a C    36.9600  -19.3200
            15  C1d C    35.7000  -18.6200
            16  O5a O    36.9600  -20.7200
            17  C1b C    34.5100  -19.3200
            18  C1a C    35.7000  -17.2200
            19  S4a S    33.3200  -18.6200
            20  C8y C    32.0600  -19.3200
            21  O3c O    32.3400  -17.6400
            22  O3c O    34.2300  -17.5700
            23  O1a O    35.7000  -20.0200
            24  C8x C    32.0600  -20.7200
            25  C8x C    30.8700  -21.4200
            26  C8y C    29.6800  -20.7200
            27  C8x C    29.6800  -19.3200
            28  C8x C    30.8700  -18.6200
            29  X   F    28.4200  -21.4200
BOND        30
            1     1   2 1
            2     1   3 2
            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     4  10 1
            10    5  11 1
            11    6  12 3
            12    7  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16   15  17 1
            17   15  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   19  21 2
            21   19  22 2
            22    7  11 2
            23   15  23 1 #Up
            24   20  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   20  28 1
            30   26  29 1

» Japanese version   » Back

KEGG   DRUG: Nilutamide
Entry
D00965                      Drug                                   
Name
Nilutamide (USAN/INN);
Nilandron (TN)
Product
NILANDRON (Concordia Pharmaceuticals)
  Generic
NILUTAMIDE (ANI Pharmaceuticals), NILUTAMIDE (Prasco Laboratories)
Formula
C12H10F3N3O4
Exact mass
317.0623
Mol weight
317.2207
Structure
Simcomp
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01624  Flutamide-type antiandrogen
Remark
Same as: C08164
ATC code: L02BB02
Product: D00965<US>
Efficacy
Antineoplastic, Androgen receptor antagonist
  Disease
Prostate Cancer [DS:H00024]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
hsa05215  Prostate cancer
  Network
nt06272  Prostate cancer
Structure map
map07043  Antineoplastics - hormones
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB02 Nilutamide
      D00965  Nilutamide (USAN/INN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Nilutamide
    D00965  Nilutamide (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D00965  Nilutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D00965  Nilutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00965  Nilutamide (USAN/INN) <US>
Other DBs
CAS: 63612-50-0
PubChem: 7848028
ChEBI: 7573
LigandBox: D00965
NIKKAJI: J33.120A
LinkDB
KCF data

ATOM        22
            1   N1y N    34.9300  -18.0600
            2   C8y C    36.1200  -18.7600
            3   C5x C    33.7400  -18.8300
            4   C5x C    34.5800  -16.6600
            5   C8x C    36.1200  -20.1600
            6   C8x C    37.3800  -18.0600
            7   C1z C    32.6900  -17.9200
            8   O5x O    33.7400  -20.2300
            9   N1x N    33.1800  -16.6600
            10  O5x O    35.5600  -15.6800
            11  C8x C    37.3800  -20.8600
            12  C8y C    38.5700  -18.7600
            13  C1a C    31.7100  -16.9400
            14  C1a C    31.5000  -18.6200
            15  C8y C    38.5700  -20.1600
            16  N2b N    39.7600  -20.8600 #+
            17  O3a O    39.7600  -22.2600
            18  O3a O    41.0200  -20.1600 #-
            19  C1d C    39.7853  -18.0649
            20  X   F    40.9977  -17.3649
            21  X   F    39.0853  -16.8525
            22  X   F    40.4853  -19.2774
BOND        23
            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     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 1
            14   11  15 2
            15   15  16 1
            16   16  17 2
            17   16  18 1
            18    7   9 1
            19   12  15 1
            20   12  19 1
            21   19  20 1
            22   19  21 1
            23   19  22 1

» Japanese version   » Back

KEGG   DRUG: Enzalutamide
Entry
D10218                      Drug                                   
Name
Enzalutamide (JAN/USAN);
Xtandi (TN)
Product
XTANDI (Astellas Pharma US)
Formula
C21H16F4N4O2S
Exact mass
464.093
Mol weight
464.436
Structure
Simcomp
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01624  Flutamide-type antiandrogen
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L02BB04
Product: D10218<JP/US>
Efficacy
Antineoplastic, Androgen receptor antagonist
  Disease
Prostate cancer, castration-resistant [DS:H00024]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
hsa05215  Prostate cancer
  Network
nt06272  Prostate cancer
Metabolism
Enzyme: CYP2C8 [HSA:1558]; CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB04 Enzalutamide
      D10218  Enzalutamide (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Enzalutamide
    D10218  Enzalutamide (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10218  Enzalutamide (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D10218  Enzalutamide
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   D10218  Enzalutamide
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D10218  Enzalutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D10218  Enzalutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D10218  Enzalutamide (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10218
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10218
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10218
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10218
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10218
Other DBs
CAS: 915087-33-1
PubChem: 163312249
LinkDB
KCF data

ATOM        32
            1   C1z C    11.6200  -20.5100
            2   N1y N    12.0400  -19.1800
            3   C2y C    13.4400  -19.1800
            4   N1y N    13.8600  -20.5100
            5   C5x C    12.7400  -21.3500
            6   C8y C    15.1900  -20.9300
            7   C8x C    15.1900  -22.3300
            8   C8x C    16.3800  -20.2300
            9   C8y C    17.6400  -20.9300
            10  C8y C    17.6400  -22.3300
            11  C8x C    16.3800  -23.0300
            12  O5x O    12.7400  -22.7500
            13  C3b C    18.8300  -23.0300
            14  N3a N    20.0900  -23.7300
            15  C1d C    18.8300  -20.2300
            16  X   F    20.0900  -19.5300
            17  X   F    19.5300  -21.4200
            18  X   F    18.1300  -19.0400
            19  S0  S    14.2676  -18.0508
            20  C1a C    10.4076  -19.8100
            21  C1a C    10.8486  -21.6783
            22  C8y C    11.2124  -18.0508
            23  C8x C    11.8783  -16.8353
            24  C8y C    11.1503  -15.7095
            25  C8y C     9.7507  -15.6721
            26  C8x C     9.0855  -16.8887
            27  C8x C     9.8135  -18.0845
            28  C5a C     9.0512  -14.4556
            29  N1b N     7.6305  -14.5226
            30  C1a C     6.8590  -13.3214
            31  O5a O     9.7041  -13.2630
            32  X   F    11.8437  -14.4756
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 1
            7     7   6 2
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    7  11 1
            12    6   8 1
            13    5  12 2
            14   10  13 1
            15   13  14 3
            16    9  15 1
            17   15  16 1
            18   15  17 1
            19   15  18 1
            20    3  19 2
            21    1  20 1
            22    1  21 1
            23    2  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   25  28 1
            31   28  29 1
            32   29  30 1
            33   28  31 2
            34   24  32 1

» Japanese version   » Back

KEGG   DRUG: Apalutamide
Entry
D11040                      Drug                                   
Name
Apalutamide (JAN/INN);
Erleada (TN)
Product
ERLEADA (Janssen Products)
Formula
C21H15F4N5O2S
Exact mass
477.0883
Mol weight
477.4347
Structure
Simcomp
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01624  Flutamide-type antiandrogen
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inducer
 DG02886  CYP2C9 inducer
 DG02885  CYP2C19 inducer
 DG02853  CYP3A/CYP3A4 inducer
  DG01635  CYP3A4 inducer
Transporter inducer
 DG01893  ABCB1 inducer
 DG02910  ABCG2 inducer
 DG02911  SLCO1B1 inducer
Remark
Therapeutic category: 4291
ATC code: L02BB05
Product: D11040<JP/US>
Efficacy
Antineoplastic, Androgen receptor antagonist
  Disease
Prostate cancer [DS:H00024]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
hsa05215  Prostate cancer
  Network
nt06272  Prostate cancer
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP3A4 [HSA:1576]
Interaction
CYP induction: CYP3A4 [HSA:1576], CYP2C19 [HSA:1557]; CYP2C9 [HSA:1559]
Transporter induction: ABCB1 [HSA:5243], ABCG2 [HSA:9429], SLCO1B1 [HSA:10599]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB05 Apalutamide
      D11040  Apalutamide (JAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Apalutamide
    D11040  Apalutamide (JAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11040  Apalutamide (JAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D11040  Apalutamide
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   D11040  Apalutamide
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D11040  Apalutamide
 Metabolizing enzyme inducer
  DG02886  CYP2C9 inducer
   D11040  Apalutamide
  DG02885  CYP2C19 inducer
   D11040  Apalutamide
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    D11040  Apalutamide
 Transporter inducer
  DG01893  ABCB1 inducer
   D11040  Apalutamide
  DG02910  ABCG2 inducer
   D11040  Apalutamide
  DG02911  SLCO1B1 inducer
   D11040  Apalutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D11040  Apalutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D11040  Apalutamide (JAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11040
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11040
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11040
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11040
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11040
 Drug transporters
  D11040
Other DBs
CAS: 956104-40-8
PubChem: 355052574
LinkDB
KCF data

ATOM        33
            1   C1z C    16.8000  -18.2000
            2   N1y N    17.2200  -16.8700
            3   C2y C    18.6200  -16.8700
            4   N1y N    19.0400  -18.2000
            5   C5x C    17.9200  -19.0400
            6   O5x O    17.9200  -20.4400
            7   S0  S    19.4600  -15.7500
            8   C8y C    16.3800  -15.7500
            9   C8x C    17.0800  -14.5600
            10  C8y C    16.3100  -13.4400
            11  C8y C    14.9100  -13.4400
            12  C8x C    14.2800  -14.5600
            13  C8x C    14.9800  -15.7500
            14  C5a C    14.2100  -12.1800
            15  N1b N    12.8100  -12.1800
            16  C1a C    12.0400  -10.9200
            17  O5a O    14.9100  -10.9900
            18  X   F    17.0100  -12.1800
            19  C1x C    15.4000  -18.2000
            20  C1x C    15.4000  -19.6000
            21  C1x C    16.8000  -19.6000
            22  C8y C    20.2300  -18.9000
            23  C8x C    20.2300  -20.3000
            24  C8x C    21.4200  -18.2000
            25  C8y C    22.6800  -18.9000
            26  C8y C    22.6800  -20.3000
            27  N5x N    21.4200  -21.0000
            28  C3b C    23.8700  -21.0000
            29  N3a N    25.1300  -21.7000
            30  C1d C    23.8700  -18.2000
            31  X   F    25.1300  -17.5000
            32  X   F    24.5700  -19.3900
            33  X   F    23.1700  -17.0100
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     3   7 2
            8     2   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   14  17 2
            19   10  18 1
            20   19  20 1
            21   20  21 1
            22   21   1 1
            23    1  19 1
            24   23  22 2
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   23  27 1
            29   22  24 1
            30   26  28 1
            31   28  29 3
            32   25  30 1
            33   30  31 1
            34   30  32 1
            35   30  33 1
            36   22   4 1

» Japanese version   » Back

KEGG   DRUG: Darolutamide
Entry
D11045                      Drug                                   
Name
Darolutamide (JAN/USAN/INN);
Nebeqa (TN)
Product
NUBEQA (Bayer HealthCare Pharmaceuticals)
Formula
C19H19ClN6O2
Exact mass
398.1258
Mol weight
398.8462
Structure
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01624  Flutamide-type antiandrogen
Remark
Therapeutic category: 4291
ATC code: L02BB06
Product: D11045<JP/US>
Efficacy
Antineoplastic, Androgen receptor antagonist
  Disease
Prostate cancer [DS:H00024]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
hsa05207  Chemical carcinogenesis - receptor activation
hsa05215  Prostate cancer
  Network
nt06272  Prostate cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB06 Darolutamide
      D11045  Darolutamide (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Darolutamide
    D11045  Darolutamide (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11045  Darolutamide (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D11045  Darolutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D11045  Darolutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D11045  Darolutamide (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11045
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11045
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11045
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11045
Other DBs
CAS: 1297538-32-9
PubChem: 363669758
LinkDB
KCF data

ATOM        28
            1   C8y C    25.3956  -16.6986
            2   C8y C    25.3956  -15.2950
            3   C8x C    24.2024  -14.5931
            4   C8x C    22.9391  -15.2950
            5   C8y C    22.9391  -16.6986
            6   C8x C    24.2024  -17.4005
            7   C3b C    26.5887  -14.5931
            8   N3a N    27.8520  -13.8913
            9   C8y C    21.7460  -17.4005
            10  N4y N    19.5001  -17.4005
            11  C8x C    19.9212  -18.7340
            12  C8x C    21.3249  -18.7340
            13  N5x N    20.6231  -16.5583
            14  C1b C    18.3070  -16.6986
            15  C1c C    17.1139  -17.4005
            16  N1b N    15.9207  -16.6986
            17  C5a C    14.7276  -17.4005
            18  C8y C    13.5345  -16.6986
            19  C8x C    13.1134  -15.3651
            20  C8y C    11.7097  -15.3651
            21  N4x N    11.2886  -16.6986
            22  N5x N    12.4115  -17.5408
            23  C1c C    10.5166  -14.6633
            24  C1a C     9.3234  -15.3651
            25  O1a O    10.5166  -13.2596
            26  O5a O    14.7276  -18.8042
            27  C1a C    17.1139  -18.8042
            28  X   Cl   26.6353  -17.4072
BOND        30
            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     2   7 1
            8     7   8 3
            9     5   9 1
            10   10  11 1
            11   11  12 2
            12   12   9 1
            13   10  13 1
            14   13   9 2
            15   10  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   22  18 2
            25   20  23 1
            26   23  24 1
            27   23  25 1
            28   17  26 2
            29   15  27 1 #Down
            30    1  28 1

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