nabumetone   Click here for help

GtoPdb Ligand ID: 7245

Synonyms: BRL-14777 | Relafen®
Approved drug PDB Ligand Immunopharmacology Ligand
nabumetone is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: Nabumetone is a non-steroidal anti-inflammatory drug (NSAID). Nabumetone is a prodrug metabilosed to the active component, 6-methoxy-2-naphthylacetic acid (6MNA; CHEMBL1105)
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 26.3
Molecular weight 228.12
XLogP 3.06
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc2c(c1)ccc(c2)CCC(=O)C
Isomeric SMILES COc1ccc2c(c1)ccc(c2)CCC(=O)C
InChI InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
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.