CHEBI:6339 - etoricoxib

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ChEBI Name etoricoxib
ChEBI ID CHEBI:6339
Definition A member of the class of bipyridines that is 2,3'-bipyridine which is substituted at the 3, 5, and 6' positions by 4-(methylsulfonyl)phenyl, chlorine, and methyl groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:106706
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Formula C18H15ClN2O2S
Net Charge 0
Average Mass 358.84200
Monoisotopic Mass 358.054
InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKey MNJVRJDLRVPLFE-UHFFFAOYSA-N
SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Roles Classification
Biological Role(s): cyclooxygenase 2 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
Application(s): non-steroidal anti-inflammatory drug
An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
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ChEBI Ontology
Outgoing etoricoxib (CHEBI:6339) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
etoricoxib (CHEBI:6339) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
etoricoxib (CHEBI:6339) is a bipyridines (CHEBI:50511)
etoricoxib (CHEBI:6339) is a organochlorine compound (CHEBI:36683)
etoricoxib (CHEBI:6339) is a sulfone (CHEBI:35850)
IUPAC Name
5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
INNs Sources
étoricoxib WHO MedNet
etoricoxib WHO MedNet
etoricoxib ChemIDplus
etoricoxibum WHO MedNet
Synonyms Sources
5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine ChEMBL
5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl ChEMBL
5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine ChemIDplus
ETORICOXIB ChEMBL
Etoricoxib KEGG COMPOUND
L791456 KEGG COMPOUND
Database Links Databases
1113 DrugCentral
5CH PDBeChem
C11718 KEGG COMPOUND
D03710 KEGG DRUG
DB01628 DrugBank
Etoricoxib Wikipedia
LSM-5650 LINCS
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Registry Numbers Types Sources
202409-33-4 CAS Registry Number KEGG COMPOUND
202409-33-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11327589 PubMed citation ChEMBL
14761182 PubMed citation ChEMBL
15239665 PubMed citation ChEMBL
15454242 PubMed citation ChEMBL
15916445 PubMed citation ChEMBL
Last Modified
22 February 2017
General Comment
2011-03-18 A selective inhibitor of cyclooxygenase-2 (COX-2), etoricoxib is used as a non-steroidal anti-inflammatory drug for the symptomatic relief of rheumatoid and osteo-arthritis.