cerivastatin

Ligand id: 2950

Name: cerivastatin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 99.88
Molecular weight 459.24
XLogP 4.41
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 human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Competitive 8.2 pKi - 1
pKi 8.2 (Ki 5.7x10-9 M) [1]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: pH 6.8, concentrations of substrates: 100µM HMG-CoA, 270µM NADPH. Human HMG-COA reductase catalytic domain was expressed in Escherichia coli BL(DE3) cells and purified using a GST affinity column.
hydroxymethylglutaryl-CoA reductase Inhibitor Competitive 8.0 pIC50 - 3
pIC50 8.0 (IC50 1x10-8 M) [3]
Description: Inhibition of HMG-CoA reductase
Conditions: Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase (check paper for primary source )
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 Competitive 8.4 pIC50 - 2
pIC50 8.4 (IC50 3.54x10-9 M) [2]
Description: in vitro inhibition of cholesterol synthesis
Conditions: Inhibition IC50 values measured in primary rat hepatocytes