Ligand id: 2893

Name: rofecoxib

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 68.82
Molecular weight 314.06
XLogP 3.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
A non-steroidal anti-inflammatory drug previously used in the treatment of rheumatoid arthritis, osteoarthritis, primary dysmenorrhea, acture migraine and acute pain. Withdrawn from the US market in 2004 due to concerns about safety.
Mechanism Of Action and Pharmacodynamic Effects
While the exact mechanism of action of rofecoxib has not been determined, its anti-inflammatory properties appear to arise from its inhibition of prostaglandin synthesis via inhibition of COX-2 which is involved in the mediation of inflammation and pain.