compound 50 [PMID: 18072721]

Ligand id: 3008

Name: compound 50 [PMID: 18072721]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 118.72
Molecular weight 524.26
XLogP 5.46
No. Lipinski's rules broken 2

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 Rn Inhibitor Inhibition 8.8 pIC50 - 1
pIC50 8.8 (IC50 1.5x10-9 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 0.024µCi, 15mM NADPH. Inhibition of HMG-CoA redcutase in Sprague-Dawley rat liver microsomes