Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01BJB
|
|||
| Former ID |
DIB020754
|
|||
| Drug Name |
pregnenolone-16alpha-carbonitrile
|
|||
| Synonyms |
16alpha-carbonitrile, pregnenolone
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C22H31NO2
|
|||
| Canonical SMILES |
CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C#N
|
|||
| 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
|
|||
| CAS Number |
CAS 1434-54-4
|
|||
| PubChem Compound ID | ||||
| 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
|
|||
| ChEBI ID |
CHEBI:35591
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Pregnane X receptor (NR1I2) | Target Info | Agonist | [2] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 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: 2762). | |||
| REF 2 | An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway. Cell. 1998 Jan 9;92(1):73-82. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.