Ligand id: 2954

Name: rosuvastatin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 149.3
Molecular weight 481.17
XLogP 2.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Hs Inhibitor Competitive 8.6 pKi - 1
pKi 8.6 (Ki 2.3x10-9 M) [1]
Conditions: pH 6.8, concentrations of substrates: 100µM HMG-CoA, 270µM NADPH.
hydroxymethylglutaryl-CoA reductase Rn Inhibitor Competitive 9.8 pIC50 - 3
pIC50 9.8 (IC50 1.6x10-10 M) [3]
Description: Inhibition of cholesterol systhesis
Conditions: Inhibition of cholesterol synthesis in primary rat hepatocytes
hydroxymethylglutaryl-CoA reductase Hs Inhibitor Competitive 8.3 – 8.5 pIC50 - 2-4
pIC50 8.5 (IC50 3.1x10-9 M) [4]
Description: Inhibition of HMG-CoA reductase
pIC50 8.3 (IC50 5x10-9 M) [2]
pIC50 8.3 (IC50 5.4x10-9 M) [3]
Description: in vitro inhibition of cholesterol synthesis
Conditions: Inhibition IC50 values measured in primary rat hepatocytes