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
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (1991))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4855 nabumetone
Synonyms Click here for help
BRL-14777 | Relafen®
Database Links Click here for help
CAS Registry No. 42924-53-8
ChEMBL Ligand CHEMBL1070
DrugBank Ligand DB00461
DrugCentral Ligand 1863
GtoPdb PubChem SID 178103819
PubChem CID 4409
Search Google for chemical match using the InChIKey BLXXJMDCKKHMKV-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey BLXXJMDCKKHMKV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BLXXJMDCKKHMKV-UHFFFAOYSA-N
Wikipedia Nabumetone