compound 35 [PMID: 8246233]

Ligand id: 2999

Name: compound 35 [PMID: 8246233]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 98.41
Molecular weight 437.19
XLogP 5.57
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 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 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.6x10-9 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: 225nmol of NADP+ and 2.5nmol HMG-CoA in a volume of 25┬ÁL. Washed rat liver microsomal HMG-CoA reductase