compound 28 [PMID: 8246233]

Ligand id: 2985

Name: compound 28 [PMID: 8246233]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 111.3
Molecular weight 438.18
XLogP 3.88
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 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: Inhibition of HMG-CoA reductase
Conditions: 225nmol of NADP+ and 2.5nmol HMG-CoA in a volume of 25┬ÁL. Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)