KEGG   DRUG: Cyproterone acetateHelp
Entry
D01368                      Drug                                   

Name
Cyproterone acetate (JAN/USAN)
Formula
C24H29ClO4
Exact mass
416.1754
Mol weight
416.9377
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01623  Steroid-type antiandrogen
Remark
ATC code: G03HA01
Chemical structure group: DG00475
Efficacy
Androgen receptor antagonist
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa04114  Oocyte meiosis
Interaction
Drug interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03H ANTIANDROGENS
    G03HA Antiandrogens, plain
     G03HA01 Cyproterone
      D01368  Cyproterone acetate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D01368  Cyproterone acetate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 427-51-0
PubChem: 7848431
ChEBI: 50743
ChEMBL: CHEMBL139835
PDB-CCD: CA4[PDBj]
LigandBox: D01368
NIKKAJI: J37.065G
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1y C     7.2100  -10.9200
            2   C5x C     7.2100  -12.3200
            3   C2x C     8.4224  -13.0200
            4   C2y C     9.6349  -12.3200
            5   C1z C     9.6349  -10.9200
            6   C1y C     8.4224  -10.2200
            7   C2y C    10.8473  -13.0200
            8   C2x C    12.0597  -12.3200
            9   C1y C    12.0597  -10.9200
            10  C1y C    10.8473  -10.2200
            11  C1y C    13.2722  -10.2200
            12  C1z C    13.2722   -8.8200
            13  C1x C    12.0597   -8.1200
            14  C1x C    10.8473   -8.8200
            15  C1x C    15.6970  -10.2200
            16  C1x C    15.6970   -8.8200
            17  C1z C    14.4846   -8.1200
            18  X   Cl   10.8473  -14.4200
            19  O5x O     5.9976  -13.0200
            20  C1a C     9.6349   -9.1700
            21  C1a C    13.2722   -7.4200
            22  C5a C    14.4846   -6.7200
            23  C1x C     7.2100   -9.5200
            24  O7a O    15.6970   -7.4200
            25  C7a C    16.8966   -8.1127
            26  C1a C    18.0859   -7.4260
            27  O6a O    16.8967   -9.5197
            28  O5a O    15.7011   -6.0177
            29  C1a C    13.2762   -6.0223
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            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 1
            20   12  17 1
            21    7  18 1
            22    2  19 2
            23    5  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26    1  23 1 #Down
            27    6  23 1 #Down
            28   17  24 1 #Down
            29   24  25 1
            30   25  26 1
            31   25  27 2
            32   22  28 2
            33   22  29 1

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