compound 3 [Dreyer et al., 1991]

Ligand id: 7993

Name: compound 3 [Dreyer et al., 1991]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 113.87
Molecular weight 446.05
XLogP 3.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-4-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl-hydroxyphosphoryl]-3-hydroxybutanoic acid
Database Links
ChEMBL Ligand CHEMBL39102
PubChem CID 44285652
Search Google for chemical match using the InChIKey XKZCNQAYFRBCKR-HNNXBMFYSA-N
Search Google for chemicals with the same backbone XKZCNQAYFRBCKR
Search UniChem for chemical match using the InChIKey XKZCNQAYFRBCKR-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone XKZCNQAYFRBCKR
Comments
This ligand is referred to as compound 3 in the reference [1], for which no PMID is available. It is an HMG-CoA reductase inhibitor.