pregnenolone

Ligand id: 2376

Name: pregnenolone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 316.24
XLogP 4.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes
IUPAC Name
1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
International Nonproprietary Names
INN number INN
4178 pregnenolone
Database Links
CAS Registry No. 145-13-1 (source: SciFinder)
ChEBI CHEBI:16581
ChEMBL Ligand CHEMBL253363
DrugBank Ligand DB02789
PubChem CID 8955
RCSB PDB Ligand PLO
Search Google for chemical match using the InChIKey ORNBQBCIOKFOEO-QGVNFLHTSA-N
Search Google for chemicals with the same backbone ORNBQBCIOKFOEO
Search PubMed clinical trials pregnenolone
Search PubMed titles pregnenolone
Search PubMed titles/abstracts pregnenolone
Search UniChem for chemical match using the InChIKey ORNBQBCIOKFOEO-QGVNFLHTSA-N
Search UniChem for chemicals with the same backbone ORNBQBCIOKFOEO
Wikipedia Pregnenolone
Comments
Pregnenolone is an endogenous steroid hormone and is the precursor of the progestogens, mineralocorticoids, glucocorticoids, androgens, estrogens and neuroactive steroids.