lovastatin

Ligand id: 2739

Name: lovastatin

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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 72.83
Molecular weight 404.26
XLogP 4.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human nuclear hormone receptors
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Target Type Action Affinity Units Concentration range (M) Reference
Pregnane X receptor Agonist Full agonist 5.3 – 6.0 pEC50 - 6
pEC50 5.3 – 6.0 (EC50 5x10-6 – 1x10-6 M) [6]
Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Competitive 9.2 pKi - 1
pKi 9.2 (Ki 6x10-10 M) [1]
Description: Inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 200µM NADPH, HMG-CoA concentration varied- 17.5µM, 34.8µM or 52.1µM
hydroxymethylglutaryl-CoA reductase Inhibitor Competitive 7.3 – 7.7 pIC50 - 4,8
pIC50 7.7 (IC50 2x10-8 M) [8]
Description: in vitro inhition of HMG-CoA reductase
Conditions: Inhibitory activity assay used partially purified microsomal preparations.
pIC50 7.3 (IC50 5x10-8 M) [4]
Description: in vitro inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: NADP 50mM, 0.91 mM HMG-CoA. Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)
Selectivity at mouse enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Competitive 7.6 pIC50 - 2
pIC50 7.6 (IC50 2.7x10-8 M) [2]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Isolated enzyme HMG-CoA reductase
Selectivity at rat enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Inhibitor Competitive 6.3 – 8.5 pIC50 - 2-5,7,9
pIC50 8.5 (IC50 3x10-9 M) [7]
Description: in vitro inhition of HMG-CoA reductase
Conditions: Inhibition of rat liver microsomal HMG-CoA reductase. Sodium salt preparation used.
pIC50 8.1 (IC50 8x10-9 M) [4]
Description: in vitro inhibition of HMG-CoA reductase
Conditions: In vitro inhibition of HMG-CoA reductase in solubilized rat liver.
pIC50 8.1 (IC50 8x10-9 M) [5]
Description: in vitro inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 0.91mM HMG-CoA, 50mM NADP. Inhibition of HMG-CoA reductase in solubilized rat liver.
pIC50 8.0 (IC50 1.1x10-8 M) [2]
Description: in vitro inhibition of HMG-CoA reductase
Conditions: Inhibition of microsomal rat liver HMG-CoA reductase
pIC50 7.6 (IC50 2.7x10-8 M) [9]
Description: in vitro inhition of HMG-CoA reductase
Conditions: Substrate concentrations: 0.45 µM HMG-CoA, 4mM NADPH. Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.
pIC50 6.8 (IC50 1.6x10-7 M) [3]
Description: in vitro inhition of HMG-CoA reductase
Conditions: The Na+ salt of mevinoline was tested for HMG-CoA reductase inhibitory activity in a microsomal preparation
pIC50 6.3 (IC50 5.3x10-7 M) [3]
Description: in vitro inhition of HMG-CoA reductase
Conditions: The lactone form of lovastatin was tested for HMG-CoA reductase inhibitory activity in a microsomal preparation