compound 4p [PMID: 1895299]

Ligand id: 3019

Name: compound 4p [PMID: 1895299]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 123.19
Molecular weight 509.18
XLogP 6.4
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 5.5x10-10 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 2.7mM NADPH, 0.05µCi HMG-CoA.