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

General Information of Drug (ID: DR1324)
Drug Name
Prasterone sulfate
Synonyms
Prasterone sulfate; Prasterone sulphate; 17-Ketoandrost-5-en-3beta-yl sulfate; 3-O-Sulfodehydroepiandrosterone; 3beta-Hydroxyandrost-5-en-17-one 3-sulfate; 651-48-9; DEHYDROEPIANDROSTERONE SULFATE; DHEA sulfate; DHEA sulphate; DHEA-S; Dehydroandrosterone sulfate; Dehydroepiandrosterone 3-sulfate; Dehydroepiandrosterone monosulfate; Dehydroepiandrosterone sulphate; Dehydroisoandrosterone sulfate; Dehydroisoandrosterone-3-sulfate; Androst-5-en-17-on-3beta-yl sulfuric acid; CCRIS 6746; DHEAS; UNII-57B09Q7FJR
Indication Adrenocortical deficiency [ICD11: 5A74] Phase 4 [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
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 1 [2]
Unclear DM009999 N. A. Unclear 1 [3]
Testosterone DM001963
6013
Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005802 Prasterone sulfate Dehydroepiandrosterone Unclear SULT2A1 [2]
MR005804 Prasterone sulfate Unclear Unclear CYP3A7 [3]
MR005803 Dehydroepiandrosterone Testosterone Unclear HSD17B [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
17beta-hydroxysteroid dehydrogenase (HSD17B) DMEN276 Homo sapiens Not Available Not Available [2]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[3]
References
1 ClinicalTrials.gov (NCT02866253) Dehydroepiandrosterone (DHEA)Supplementation Pre-IVF(In Vitro Fertilization) Cycles.
2 Toxin and Toxin Target Database (T3DB):Prasterone sulfate
3 CYP3A7*1C polymorphism, serum dehydroepiandrosterone sulfate level, and bone mineral density in postmenopausal women. Calcif Tissue Int. 2007 Mar;80(3):154-9.

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