compound 29 [PMID: 2296027]

Ligand id: 2964

Name: compound 29 [PMID: 2296027]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 64.35
Molecular weight 436.22
XLogP 6.34
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
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Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Inhibition 6.8 pIC50 - 1
pIC50 6.8 (IC50 1.58x10-7 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 0.45µM HMG-CoA, 4mM NADPH. In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholestyramine