KEGG   DRUG: CyproteroneHelp
Entry
D07766                      Drug                                   

Name
Cyproterone (INN);
Ciproterona Servycal (TN)
Formula
C22H27ClO3
Exact mass
374.1649
Mol weight
374.901
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
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
      D07766  Cyproterone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D07766  Cyproterone (INN)
BRITE hierarchy
Other DBs
CAS: 2098-66-0
PubChem: 51092058
ChEMBL: CHEMBL142130
DrugBank: DB04839
LigandBox: D07766
NIKKAJI: J34.128B
KCF data Show

ATOM        26
            1   C1y C    19.4600  -18.6200
            2   C5x C    19.4600  -19.9500
            3   C2x C    20.6500  -20.6500
            4   C2y C    21.8400  -19.9500
            5   C1z C    21.8400  -18.6200
            6   C1y C    20.6500  -17.9200
            7   C2y C    23.0300  -20.6500
            8   C2x C    24.2200  -19.9500
            9   C1y C    24.2200  -18.6200
            10  C1y C    23.0300  -17.9200
            11  C1y C    25.4100  -17.9200
            12  C1z C    25.4100  -16.5900
            13  C1x C    24.2200  -15.8900
            14  C1x C    23.0300  -16.5900
            15  C1x C    27.7200  -17.9200
            16  C1x C    27.7200  -16.5900
            17  C1z C    26.6000  -15.8900
            18  X   Cl   23.0300  -22.0500
            19  O5x O    18.2700  -20.6500
            20  C1a C    21.8400  -16.9400
            21  C1a C    25.4100  -15.1900
            22  C5a C    26.6000  -14.5600
            23  C1x C    19.4600  -17.2200
            24  O1a O    27.7200  -15.1900
            25  O5a O    27.7200  -13.8600
            26  C1a C    25.4100  -13.8600
BOND        30
            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   22  25 2
            30   22  26 1

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