compound 9a [Patil et al., 1989]

Ligand id: 2958

Name: compound 9a [Patil et al., 1989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 49.83
Molecular weight 290.19
XLogP 5.61
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 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 5.3 pIC50 - 1
pIC50 5.3 (IC50 5x10-6 M) [1]
Description: Inhibition of HMG-CoA reductase