simvastatin

Ligand id: 2955

Name: simvastatin

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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 418.27
XLogP 4.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Used in the treatment of hypercholesterolemia and reduction of the risk of cardiovascular disease.
Mechanism Of Action and Pharmacodynamic Effects
Competitive inhibitor of 3-hydroxy-3-methylglutaryl (HMG) coenzyme A reductase (HMG-CoA reductase), the enzyme catalysing the rate-limiting step of cholesterol synthesis. Acting primarily in the liver, simvastatin decreases hepatic cholesterol concentrations. For a complete overview of the mechanism of action of this drug, please see the entry on DrugBank linked to from this ligand page.
External links