KEGG   DRUG: Apalutamide
Entry
D11040                      Drug                                   

Name
Apalutamide (JAN/INN);
Erleada (TN)
Product
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
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)
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
ChEMBL: CHEMBL3183409
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

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