KEGG   DRUG: Flutamide
Entry
D00586                      Drug                                   
Name
Flutamide (JP18/USP/INN);
Eulexin (TN)
Product
  Generic
Formula
C11H11F3N2O3
Exact mass
276.0722
Mol weight
276.21
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
  Generic
Formula
C18H14F4N2O4S
Exact mass
430.0610
Mol weight
430.37
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
  Generic
Formula
C12H10F3N3O4
Exact mass
317.0623
Mol weight
317.22
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
Formula
C21H16F4N4O2S
Exact mass
464.0930
Mol weight
464.44
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
Formula
C21H15F4N5O2S
Exact mass
477.0883
Mol weight
477.44
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
Formula
C19H19ClN6O2
Exact mass
398.1258
Mol weight
398.84
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

» Japanese version   » Back

DBGET integrated database retrieval system