fluvastatin

Ligand id: 2951

Name: fluvastatin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 82.69
Molecular weight 411.18
XLogP 4.96
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 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 6.6 – 7.6 pKi - 2,5
pKi 7.6 (Ki 2.8x10-8 M) [5]
pKi 6.6 (Ki 2.56x10-7 M) [2]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: 100µM HMG-CoA and 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 7.6 pIC50 - 7
pIC50 7.6 (IC50 2.8x10-8 M) [7]
Description: Inhibition of HMG-CoA reductase
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 – 8.6 pIC50 - 3,6,8-9
pIC50 8.6 (IC50 2.5x10-9 M) [8]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Crude rat liver (solubilized enzyme )
pIC50 8.6 (IC50 2.5x10-9 M) [3]
Description: In vitro inhibition of HMG-CoA reductase
Conditions: Substrate concentrations: 2.8mM NADPH, 0.1 mM HMG-CoA. Partially purified microsomal preparations
pIC50 8.5 (IC50 3x10-9 M) [6]
Description: in vitro inhibition of HMG-CoA reductase
Conditions: DL-[3-14C]3-hydroxy-3-methylglutaryl-CoA (0.37 MBq) and 10 mg protein of microsomal fraction incubated at 37°C for 30 min The reaction was terminated by addition of 2 M HCl aq and the metabolites were converted to mevalonolactone. The metabolite mixture was separated by means of thin layer chromatography (Merck 20 TLC plates Silica Gel 60 F254) with acetone/benzene (1:1 v/v). The radioactivity of each spot on the plate was measured with a bioimaging analyzer (FLA-7000, Fuji Film, Japan).
pIC50 8.4 (IC50 3.78x10-9 M) [9]
Description: in vitro inhibition of cholesterol synthesis
Conditions: Inhibition IC50 values measured in primary rat hepatocytes