Drug Information

Drug General Information
Drug ID
D01BJB
Former ID
DIB020754
Drug Name
pregnenolone-16alpha-carbonitrile
Synonyms
16alpha-carbonitrile, pregnenolone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539808]
Structure
Download
2D MOL
Formula
C22H31NO2
InChI
InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
InChIKey
VSBHRRMYCDQLJF-ZDNYCOCVSA-N
PubChem Compound ID
15032
PubChem Substance ID
855859, 11533604, 14924923, 17396627, 24898113, 26751538, 26751539, 26751540, 26751541, 29283015, 47736187, 47885119, 50019586, 50104120, 53790231, 56311480, 56313133, 57288616, 57328838, 77539396, 85787452, 92310058, 93167036, 99300970, 104336008, 124800774, 124886824, 124966219, 129518910, 134979493, 135650852, 137004726, 144213832, 162223397, 163131876, 179317069, 184580827, 227265646, 252455782
Target and Pathway
Target(s) Pregnane X receptor Target Info Agonist [534572]
WikiPathways Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Pregnane X Receptor pathway
Drug Induction of Bile Acid Pathway
Nuclear Receptors
References
Ref 539808(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: 2762).
Ref 534572An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway. Cell. 1998 Jan 9;92(1):73-82.

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