Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5957)
Drug Name
Cyproterone
Synonyms
Ciproterona; Ciproterone; CyPat; Cyproteron; Cyproteronum; Ciproterona Servycal; Ciproterone [DCIT]; SH 80881; Apo-cyproterone; Ciproterona Servycal (TN); Ciproterona [INN-Spanish]; Cyproterone (INN); Cyproterone [INN:BAN]; Cyproteronum [INN-Latin]; Dianette (TN); Gen-Cyproterone; Novo-cyproterone; Diane-35 (TN); (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-1-hydroxy-8b,10a-dimethyl-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phenanthren-7(1H)-one; 6-Chlor-delta(6)-1,2-alpha-methylen-17-alpha-hydroxyprogesteron; 6-Chlor-delta(sup 6)-1,2-alpha-methylen-17-alpha-hydroxyprogesteron; 6-Chlor-delta(sup 6)-1,2-alpha-methylen-17-alpha-hydroxyprogesteron [German]; 6-chloro-17-hydroxy-1beta,2beta-dihydro-3'H-cyclopropa[1,2]pregna-4,6-diene-3,20-dione
Indication Prostate cancer [ICD11: 2C82] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 374.9 Topological Polar Surface Area 54.4
Heavy Atom Count 26 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5284537
ChEBI ID
CHEBI:50742
CAS Number
2098-66-0
TTD Drug ID
D06AEO
Formula
C22H27ClO3
Canonical SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O
InChI
InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1
InChIKey
DUSHUSLJJMDGTE-ZJPMUUANSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
15 beta-hydroxy-cyproterone?acetate DM015227
163085
Unclear - Unclear 1 [3]
3 alpha-hydroxy-cyproterone?acetate DM018854 N. A. Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011231 Cyproterone 15 beta-hydroxy-cyproterone?acetate Unclear - Unclear Unclear [3]
MR011232 Cyproterone 3 alpha-hydroxy-cyproterone?acetate Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Drug information of Cyproterone, 2008. eduDrugs.
2 DrugBank(Pharmacology-Metabolism):Cyproterone
3 Identification of 3 alpha-hydroxy-cyproterone acetate as a metabolite of cyproterone acetate in the bile of female rats and the potential of this and other already known or putative metabolites to form DNA adducts in vitro

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