compound 5ab [PMID: 8246233]

Ligand id: 2994

Name: compound 5ab [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 455.18
XLogP 5.23
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 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: 225nmol of NADP+ and 2.5nmol HMG-CoA in a volume of 25µL. Washed rat liver microsomal HMG-CoA reductase