compound 33 [PMID: 17574412]

Ligand id: 3010

Name: compound 33 [PMID: 17574412]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 138.41
Molecular weight 596.26
XLogP 6.79
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 9.7 pIC50 - 1
pIC50 9.7 (IC50 2x10-10 M) [1]
Description: Inhibition of HMG-CoA reductase