pravastatin

Ligand id: 2953

Name: pravastatin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 124.29
Molecular weight 424.25
XLogP 2.28
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 7.0 pKi - 1
pKi 7.0 (Ki 1.03x10-7 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 5.9 – 7.5 pIC50 - 5-6
pIC50 7.5 (IC50 3x10-8 M) [5]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Concentrations of substrates: 0.45 µM HMG-CoA, 4mM NADPH. Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.
pIC50 5.9 (IC50 1.37x10-6 M) [6]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: cellular assay testing the inhibition of steroidogenesis in Hep G2 cells (human hepatoma cell line)
Selectivity at human transporters
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Target Type Action Affinity Units Concentration range (M) Reference
OATP1B1 None Binding - - -
Selectivity at rat enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Competitive 8.4 pEC50 - 6
pEC50 8.4 (IC50 4.2x10-9 M) [6]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: In vitro HMG-CoA reductase inhibitory activity to inhibit sterol synthesis in cell free system in rat
hydroxymethylglutaryl-CoA reductase Inhibitor Competitive 7.9 – 8.3 pIC50 - 2-4
pIC50 8.3 (IC50 5x10-9 M) [4]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Sodium salt of pravastatin was tested for the inhibition of rat liver microsomal HMG-CoA reductase.
pIC50 8.2 (IC50 6.93x10-9 M) [2]
Description: in vitro inhibition of cholesterol synthesis
Conditions: Inhibition IC50 values measured in primary rat hepatocytes
pIC50 7.9 (IC50 1.3x10-8 M) [3]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Concentration of substrate: 0.024µCi HMG-CoA, 15mM NADPH. Inhibition of HMG-CoA redcutase in Sprague-Dawley rat liver microsomes
Targets where the ligand is described in the comment field
Target Comment