KEGG   DRUG: Abiraterone acetateHelp
Entry
D09701                      Drug                                   

Name
Abiraterone acetate (JAN/USAN);
Zytiga (TN)
Product
Formula
C26H33NO2
Exact mass
391.2511
Mol weight
391.5457
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01623  Steroid-type antiandrogen
Remark
Therapeutic category: 4291
ATC code: L02BX03
Product: D09701<JP/US>
Efficacy
Antineoplastic, Androgen synthesis inhibitor
  Disease
Prostate cancer, castration-resistant [DS:H00024]
Target
CYP17 [HSA:1586] [KO:K00512]
  Pathway
hsa00140  Steroid hormone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BX Other hormone antagonists and related agents
     L02BX03 Abiraterone
      D09701  Abiraterone acetate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Abiraterone
    D09701  Abiraterone acetate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09701  Abiraterone acetate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP17
     D09701  Abiraterone acetate (JAN/USAN) <JP/US>
Antineoplastics [br08340.html]
 D09701
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D09701
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09701
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09701
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09701
BRITE hierarchy
Other DBs
CAS: 154229-18-2
PubChem: 124490441
ChEBI: 68639
ChEMBL: CHEMBL271227
LigandBox: D09701
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C    12.1800  -24.5700
            2   C1y C    12.1800  -25.9700
            3   C1x C    13.3924  -26.6700
            4   C2y C    14.6049  -25.9700
            5   C1z C    14.6049  -24.5700
            6   C1x C    13.3924  -23.8700
            7   C2x C    15.8173  -26.6700
            8   C1x C    17.0297  -25.9700
            9   C1y C    17.0297  -24.5700
            10  C1y C    15.8173  -23.8700
            11  C1y C    18.2422  -23.8700
            12  C1z C    18.2422  -22.4700
            13  C1x C    17.0297  -21.7700
            14  C1x C    15.8173  -22.4700
            15  C1x C    20.6670  -23.8700
            16  C2x C    20.6670  -22.4700
            17  C2y C    19.4546  -21.7700
            18  C8y C    19.4546  -20.3700
            19  O7a O    10.9676  -26.6700
            20  C7a C     9.7721  -25.9796
            21  C1a C     8.5847  -26.6651
            22  O6a O     9.7720  -24.5703
            23  C1a C    14.6049  -23.1700
            24  C1a C    18.2422  -21.0700
            25  C8x C    20.6711  -19.6677
            26  C8x C    20.6711  -18.2677
            27  C8x C    19.4586  -17.5677
            28  N5x N    18.2422  -18.2700
            29  C8x C    18.2422  -19.6700
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 2
            20   12  17 1
            21   17  18 1
            22    2  19 1 #Up
            23   19  20 1
            24   20  21 1
            25   20  22 2
            26    5  23 1 #Up
            27   12  24 1 #Up
            28   18  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   18  29 1

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