Pregnenolone Carbonitrile

Basic Information

CAS ID: 1434-54-4
Molecular Formula: C22H31NO2
Molecular Weight: 341.5 g/mol
Monoisotopic Mass: 341.2355 g/mol
Class: Small Molecule
Natural Product: No
Other Names: Pregnenolone-16Alpha-Carbonitrile | Pregnenolone 16 Alpha Carbonitrile
Analysis: Drug repositioning mechanism analysis

O OH N

Compound Structure and Identifier

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 See All
InChI Key: VSBHRRMYCDQLJF-ZDNYCOCVSA-N
Smiles: CC(=O)[C@H]1[C@@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C#N See All
Molfile: Download

Related Target

Target ID Name Interaction
T0527 Nuclear receptor subfamily 1 group I member 2 activator

Related Fibrosis Property

Reference Record 1

PubMed ID 26302150 Target ID T0527
Uniprot ID Nuclear receptor subfamily 1 group I member 2 Name Nuclear receptor subfamily 1 group I member 2
Model rat Fibrosis Disease Liver fibrosis
Process I attenue inflammation
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 19432992 Target ID T0527
Uniprot ID Nuclear receptor subfamily 1 group I member 2 Name Nuclear receptor subfamily 1 group I member 2
Model vitro,rat Fibrosis Disease Liver fibrosis
Process I
Process II myofibroblasts differentiation
Process III
Mechanism

Reference Record 3

PubMed ID 15595924 Target ID T0527
Uniprot ID Nuclear receptor subfamily 1 group I member 2 Name Nuclear receptor subfamily 1 group I member 2
Model vitro,mice Fibrosis Disease Liver fibrosis
Process I
Process II HSCs proliferation,HSCs differentiation
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 15032
ChEMBL: CHEMBL1400945