Details of the Drug

General Information of Drug (ID: DMWRYUH)

• 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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 368.5
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H28O5S
  IUPAC Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  Canonical SMILES: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C
  InChI: CZWCKYRVOZZJNM-USOAJAOKSA-N
  InChIKey: 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
• Cross-matching ID:
  PubChem CID: 12594
  ChEBI ID: CHEBI:16814
  CAS Number: 651-48-9
  DrugBank ID: DB05804
  INTEDE ID: DR1324

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A7 (CYP3A7) Main DME	DERD86B	CP3A7_HUMAN	Substrate	[1]

References

• [1] CYP3A7*1C polymorphism, serum dehydroepiandrosterone sulfate level, and bone mineral density in postmenopausal women. Calcif Tissue Int. 2007 Mar;80(3):154-9.