compound 42 [PMID: 17574411]

Ligand id: 3001

Name: compound 42 [PMID: 17574411]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 105.83
Molecular weight 573.22
XLogP 6.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Hs Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 1.9x10-9 M) [1]
Description: Inhibition of HMG-CoA reductase