NABUMETONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M01AX01
UNII LW0TIW155Z
EPA CompTox DTXSID4045472

Structure

InChI Key BLXXJMDCKKHMKV-UHFFFAOYSA-N
Smiles COc1ccc2cc(CCC(C)=O)ccc2c1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16O2
Molecular Weight 228.29
AlogP 3.37
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase-2 inhibitor INHIBITOR DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 110.74-203.04
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 110.74-203.04
Rattus norvegicus
- - - - 37-39

Target Conservation

Protein: Cyclooxygenase-2
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 7443
ChEMBL CHEMBL1070
DrugBank DB00461
DrugCentral 1863
FDA SRS LW0TIW155Z
Human Metabolome Database HMDB0014604
Guide to Pharmacology 7245
PDB NBO
PharmGKB PA450572
PubChem 4409
SureChEMBL SCHEMBL2256
ZINC ZINC000000020221
CONTENTS