nimesulide   Click here for help

GtoPdb Ligand ID: 7401

Synonyms: R-805
Approved drug PDB Ligand Immunopharmacology Ligand
nimesulide is an approved drug
Compound class: Synthetic organic
Comment: Nimesulide is a non-steroidal anti-inflammatory drug (NSAID), with analgesic and antipyretic properties.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.92
Molecular weight 308.05
XLogP 2.63
No. Lipinski's rules broken 0
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Canonical SMILES [O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C
Isomeric SMILES [O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C
InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
Immunopharmacology Comments
Nimesulide is a NSAID.
Immunopharmacology Disease
Disease X-Refs Comment References
Osteoarthritis Disease Ontology: DOID:8398
NSAID used to treat the pain and inflammation of OA.