Ligand id: 4139

Name: aspirin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.6
Molecular weight 180.04
XLogP 2.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Aspirin is used to treat pain, and reduce fever or inflammation. It is also used as a preventative treatment for heart attacks, strokes, and chest pain (angina).
Mechanism Of Action and Pharmacodynamic Effects
The analgesic, antipyretic, and anti-inflammatory effects of aspirin are due to direct and irreversible inhibition of both cyclooxygenases (COX-1 and COX-2) leading to decreased formation of the precursors of prostaglandins and thromboxanes from arachidonic acid. The main mechanism accounting for platelet aggregation-inhibition by aspirin is irreversible acetylation and inactivation of platelet cyclooxygenase, which blocks the formation of the aggregating agent thromboxane A2.