compound 9 [PMID: 1992149]

Ligand id: 2984

Name: compound 9 [PMID: 1992149]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 121.36
Molecular weight 440.19
XLogP 2.77
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 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 8.2 pIC50 - 2
pIC50 8.2 (IC50 6.99x10-9 M) [2]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 0.45µM HMG-CoA, 4mM NADPH. Partially purified microsomal preparations
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 8.2 pIC50 - 1
pIC50 8.2 (IC50 6.6x10-9 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Rat liver HMG-CoA reductase