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

General Information of Drug (ID: DR0440)
Drug Name
Desoxycorticosterone acetate
Synonyms
Decsterone; Delta4 -Pregnen-21-ol-3, 20-dione; Descotone; MCULE-9107883806; NSC-9567; NSC9567; Oprea1_235801; Percorten; Percorten acetate; Pregn-4-ene-3, 21-(acetyloxy)-; Pregn-4-ene-3, 21-hydroxy-, acetate; SCHEMBL1021137; STL503549; VPGRYOFKCNULNK-UHFFFAOYSA-N; WLN: L E5 B666 OV MUTJ A F FV1OV1; 11-Deoxycorticosterone acetate; 21-Hydroxyprogesterone, acetate; AC1L1EY8; AKOS032955001; Corticosterone, acetate; DOXO
Indication Osteoporosis [ICD11: FB83] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 372.5 Topological Polar Surface Area 60.4
Heavy Atom Count 27 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
3001
CAS Number
56-47-3
TTD Drug ID
D02CJX
Formula
C23H32O4
Canonical SMILES
CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChI
1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3
InChIKey
VPGRYOFKCNULNK-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Amcinonide M1 PDM007077
21980959
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Desoxycorticosterone acetate M2 PDM007160
223578
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
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 Desoxycorticosterone Acetate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Progress in Brain Research. Chapter 11 - Steroidogenic Enzymes in the Brain: Morphological Aspects. 2010, 181:193-207.

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