Details of the Drug

General Information of Drug (ID: DM4Q80H)

• 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

Disease Entry	ICD 11	Status	REF
Dyspareunia	GA12	Approved	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 368.5
  Topological Polar Surface Area (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: 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
• Cross-matching ID:
  PubChem CID: 12594
  ChEBI ID: CHEBI:16814
  CAS Number: 651-48-9
  DrugBank ID: DB05804
  VARIDT ID: DR01513

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 3 (ABCC3)	DTQ3ZHF	MRP3_HUMAN	Substrate	[2]
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[3]
Multidrug resistance-associated protein 4 (ABCC4)	DTCSGPB	MRP4_HUMAN	Substrate	[4]
Organic anion transporting polypeptide 2B1 (SLCO2B1)	DTPFTEQ	SO2B1_HUMAN	Substrate	[5]
Organic anion transporting polypeptide 1A2 (SLCO1A2)	DTE2B1D	SO1A2_HUMAN	Substrate	[6]
Multidrug resistance-associated protein 1 (ABCC1)	DTSYQGK	MRP1_HUMAN	Substrate	[4]
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[7]
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DT3D8F0	SO1B1_HUMAN	Substrate	[8]
Organic anion transporting polypeptide 1B3 (SLCO1B3)	DT9C1TS	SO1B3_HUMAN	Substrate	[9]

References

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