KEGG   DRUG: ApalutamideHelp
Entry
D11040                      Drug                                   

Name
Apalutamide (JAN/INN);
Erleada (TN)
Product
Formula
C21H15F4N5O2S
Exact mass
477.0883
Mol weight
477.4347
Structure
Mol fileKCF fileDB search
Class
Enzyme inducer
 DG02886  CYP2C9 inducer
 DG02885  CYP2C19 inducer
 DG02853  CYP3A inducer
  DG01635  CYP3A4 inducer
 DG01635  CYP3A4 inducer
Transporter inhibitor
 DG02862  ABCG2 (BCRP) inhibitor
 DG02865  SLCO1B1 (OATP1B1) inhibitor
Transporter inducer
 DG01893  P-glycoprotein inducer
Remark
Product: D11040<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]
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D11040  Apalutamide (JAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D11040
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11040
BRITE hierarchy
Other DBs
CAS: 956104-40-8
PubChem: 355052574
ChEMBL: CHEMBL3183409
LinkDB All DBs
KCF data Show

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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