KEGG   DRUG: Abiraterone acetate
Entry
D09701                      Drug                                   

Name
Abiraterone acetate (JAN/USP);
Zytiga (TN)
Product
  Generic
ABIRATERONE ACETATE (American Health Packaging), ABIRATERONE ACETATE (Amneal Pharmaceuticals NY LLC), ABIRATERONE ACETATE (AvKARE), ABIRATERONE ACETATE (Apotex Corp.), ABIRATERONE (BluePoint Laboratories), ABIRATERONE ACETATE (CELLTRION USA), ABIRATERONE ACETATE (Dr. Reddys Laboratories), ABIRATERONE ACETATE (Glenmark Pharmaceuticals), ABIRATERONE ACETATE (Golden State Medical Supply), ABIRATERONE (Hikma Pharmaceuticals USA), ABIRATERONE ACETATE (Janssen Biotech), ABIRATERONE (MSN LABORATORIES PRIVATE LIMITED), ABIRATERONE ACETATE (Major Pharmaceuticals), ABIRATERONE ACETATE (Mylan Institutional), ABIRATERONE ACETATE (Mylan Pharmaceuticals), ABIRATERONE ACETATE (NorthStar Rx LLC), ABIRATERONE (Novadoz Pharmaceuticals LLC), ABIRATERONE ACETATE (Rising Pharmaceuticals), ABIRATERONE ACETATE (Teva Pharmaceuticals USA), ABIRATERONE ACETATE (Wockhardt USA LLC.)
Formula
C26H33NO2
Exact mass
391.2511
Mol weight
391.5457
Structure
Simcomp
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01623  Steroid-type antiandrogen
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L02BX03
Product: D09701<JP/US>
Efficacy
Antineoplastic, Androgen synthesis inhibitor
  Disease
Prostate cancer, castration-resistant [DS:H00024]
Prostate cancer, castration-sensitive [DS:H00024]
Target
CYP17 [HSA:1586] [KO:K00512]
  Pathway
hsa00140  Steroid hormone biosynthesis
Metabolism
Enzyme: 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
    L02BX Other hormone antagonists and related agents
     L02BX03 Abiraterone
      D09701  Abiraterone acetate (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Abiraterone
    D09701  Abiraterone acetate (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09701  Abiraterone acetate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP17
     D09701  Abiraterone acetate (JAN/USP) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09701
Other DBs
CAS: 154229-18-2
PubChem: 124490441
ChEBI: 68639
ChEMBL: CHEMBL271227
LigandBox: D09701
LinkDB
KCF data

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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