Ligand id: 2949

Name: atorvastatin

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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 13
Topological polar surface area 111.79
Molecular weight 558.25
XLogP 8.02
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Cholesterol-lowering drug used to treat hypercholesterolaemia and mixed lipidemia, and as a primary preventative medication for patients with multiple risk factors for coronary heart disease. Atorvastatin is a component of the fixed-ratio drug Caduet® (marketed as Envacar® in some countries) which also contains the calcium channel blocker amlodipine. Caduet® was first approved by the US FDA in 2004.
Mechanism Of Action and Pharmacodynamic Effects
Atorvastatin is a competitive inhibitor of hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase, the rate-determining enzyme in cholesterol biosynthesis via the mevalonate pathway.