compound 1 [Patel et al., 1991]

Ligand id: 3009

Name: compound 1 [Patel et al., 1991]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 104.06
Molecular weight 428.31
XLogP 5.3
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Selectivity at human 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 8.1 pIC50 - 1
pIC50 8.1 (IC50 8x10-9 M) [1]
Description: In vitro inhibition of HMG-CoA reductase