compound 13b [PMID: 18412317]

Ligand id: 2988

Name: compound 13b [PMID: 18412317]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 153.21
Molecular weight 484.21
XLogP 2.38
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 9.3 pIC50 - 1
pIC50 9.3 (IC50 5x10-10 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Rat hepatic microsomes, measuring [14C]HMG-CoA to [14C]mevalonic acid