tolmetin   

GtoPdb Ligand ID: 7311

Synonyms: MCN-2559 | McN-2559-21-98 | Tolectin®
tolmetin is an approved drug (FDA (1976))
Compound class: Synthetic organic
Comment: Tolmetin is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic activity.
Marketed formulations may contain tolmetin sodium (PubChem CID 23665411).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.3
Molecular weight 257.11
XLogP 2.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C
Isomeric SMILES OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C
InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChI Key UPSPUYADGBWSHF-UHFFFAOYSA-N
Bioactivity Comments
We have been unable to find publicly available affinity data for this drug to substantiate its MMOA and have therefore not tagged a primary drug target.