compound 8b [PMID: 1992138]

Ligand id: 2966

Name: compound 8b [PMID: 1992138]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.42
Molecular weight 439.14
XLogP 6.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.5x10-8 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 0.45 microM HMG-CoA, 4mM NADPH. Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.