compound 1 [PMID: 1895299]

Ligand id: 2975

Name: compound 1 [PMID: 1895299]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 106.89
Molecular weight 421.26
XLogP 3.27
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 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 2.7mM NADPH, 0.05µCi HMG-CoA. The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase.