Details of the Drug | DrugMAP

General Information of Drug (ID: DM15DX2)

Drug Name

[3H]pregnenolone sulphate

Synonyms

[3H]-pregnenolone sulfate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C21H32O5S
Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C
InChI: 1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-N

Cross-matching ID

PubChem CID: 105074
ChEBI ID: CHEBI:35420
CAS Number: 1247-64-9
TTD ID: D06XGK

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6504).