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

General Information of Drug (ID: DR5661)
Drug Name
Dehydroepiandrosterone sulfate
Synonyms
Prasterone sulfate; DHEA sulfate; DEHYDROEPIANDROSTERONE SULFATE; Dehydroisoandrosterone sulfate; DHEAS; Dehydroepiandrosterone sulphate; Dehydroepiandrosterone monosulfate; 3-O-Sulfodehydroepiandrosterone; Dehydroepiandrosterone 3-sulfate; Dehydroandrosterone sulfate; Dehydroisoandrosterone-3-sulfate; 17-Ketoandrost-5-en-3beta-yl sulfate; DHEA-S; Androst-5-en-17-on-3beta-yl sulfuric acid; 3beta-Hydroxyandrost-5-en-17-one 3-sulfate; CCRIS 6746; (3-beta)-3-(Sulfooxy)androst-5-en-17-one; DHEA sulphate
Indication Dyspareunia [ICD11: GA12] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 368.5 Topological Polar Surface Area 89
Heavy Atom Count 25 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
12594
ChEBI ID
CHEBI:16814
CAS Number
651-48-9
Formula
C19H28O5S
Canonical SMILES
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C
InChI
InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKey
CZWCKYRVOZZJNM-USOAJAOKSA-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
Dehydroepiandrosterone DM004048
5881
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010868 Dehydroepiandrosterone sulfate Dehydroepiandrosterone (DHEA) Unclear - Unclear SULT2A1 [2]
References
1 Dehydroepiandrosterone sulfate was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Regulation of macrophage dehydroepiandrosterone sulfate metabolism by inflammatory cytokines

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