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
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

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Drug (3)   
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