compound 4 [Balasubramanian et al., 1992]

Ligand id: 2962

Name: compound 4 [Balasubramanian et al., 1992]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 124.19
Molecular weight 453.14
XLogP 2.46
No. Lipinski's rules broken 0

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 5.4 pIC50 - 1
pIC50 5.4 (IC50 4.1x10-6 M) [1]