compound 3q [PMID: 2231594]

Ligand id: 2977

Name: compound 3q [PMID: 2231594]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 109.57
Molecular weight 445.15
XLogP 5.09
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 8.7 pIC50 - 1
pIC50 8.7 (IC50 1.9x10-9 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Concentration of substrates: 100µM HMGCoA and 2.7 mM NADPH. Inhibition of rat microsomal HMG-CoA reductase activity by 50%