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

General Information of Drug (ID: DR1012)
Drug Name
Medroxyprogesterone acetate
Synonyms
Medrosterona; Medroxyacetate progesterone; Medroxyprogesterone 17-acetate; Medroxyprogesterone acetate; Mepastat; Meprate; Methylacetoxyprogesterone; Metigestrona; Nadigest; Nidaxin; Oragest; Perlutex; Prodasone; Progestalfa; Progevera; Promone-E; Provera; Provera dosepak; Proverone; Repromap; Repromix; Sirprogen; Sumiferm; Supprestral; Suprestral; Veramix; Veraplex; 71-58-9; Dugen; Clinofem; Cykrina; Depcorlutin; Depo-Promone; Depo-Provera; Depo-progestin; Depocon; Deporone; Farlutin; Gestapuran; Indivina; Lutopolar; Lutoral
Indication Breast cancer [ICD11: 2C60] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 386.5 Topological Polar Surface Area 60.4
Heavy Atom Count 28 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
6279
ChEBI ID
CHEBI:6716
CAS Number
71-58-9
TTD Drug ID
D0I2SD
Formula
C24H34O4
Canonical SMILES
CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
InChI
1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
InChIKey
PSGAAPLEWMOORI-PEINSRQWSA-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
1beta-hydroxymedroxyprogesterone acetate DM001084 N. A. Oxidation - Hydroxylation 1 [2]
2beta-hydroxymedroxyprogesterone acetate DM001083 N. A. Oxidation - Hydroxylation 1 [2]
6beta-hydroxymedroxyprogesterone Acetate DM001081
71749110
Oxidation - Hydroxylation 1 [2]
2beta-,6beta-dihydroxymedroxyprogesterone acetate DM001082 N. A. Oxidation - Hydroxylation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001620 Medroxyprogesterone acetate 6beta-hydroxymedroxyprogesterone Acetate Oxidation - Hydroxylation CYP3A4 [2]
MR001621 Medroxyprogesterone acetate 2beta-hydroxymedroxyprogesterone acetate Oxidation - Hydroxylation CYP3A4 [2]
MR001622 Medroxyprogesterone acetate 1beta-hydroxymedroxyprogesterone acetate Oxidation - Hydroxylation CYP3A4 [2]
MR001619 2beta-hydroxymedroxyprogesterone acetate 2beta-,6beta-dihydroxymedroxyprogesterone acetate Oxidation - Hydroxylation CYP3A4 [2]
MR001618 6beta-hydroxymedroxyprogesterone Acetate 2beta-,6beta-dihydroxymedroxyprogesterone acetate Oxidation - Hydroxylation CYP3A4 [2]
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 Medroxyprogesterone Acetate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Metabolic profiling and cytochrome P450 reaction phenotyping of medroxyprogesterone acetate. Drug Metab Dispos. 2008 Nov;36(11):2292-8.

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