nabumetone

Ligand id: 7245

Name: nabumetone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 26.3
Molecular weight 228.12
XLogP 4.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name
4-(6-methoxynaphthalen-2-yl)butan-2-one
International Nonproprietary Names
INN number INN
4855 nabumetone
Synonyms
BRL-14777 | Relafen®
Database Links
CAS Registry No. 42924-53-8
ChEMBL Ligand CHEMBL1070
DrugBank Ligand DB00461
PubChem CID 4409
RCSB PDB Ligand NBO
Search Google for chemical match using the InChIKey BLXXJMDCKKHMKV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BLXXJMDCKKHMKV
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Search UniChem for chemical match using the InChIKey BLXXJMDCKKHMKV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BLXXJMDCKKHMKV
Wikipedia Nabumetone
Comments
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)