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CHEBI:76127 - cimicoxib

ChEBI IDCHEBI:76127
ChEBI Namecimicoxib
Stars
DefinitionAn imidazole substituted at positions 1, 4 and 5 by 4-aminosulfonylphenyl, chloro and 3-fluoro-4-methyoxyphenyl groups respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs.
Last Modified29 October 2013
SubmitterSteve
DownloadsMolfile
FormulaC16H13ClFN3O3S
Net Charge0
Average Mass381.816
Monoisotopic Mass381.03502
SMILESCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyKYXDNECMRLFQMZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
cimicoxib (CHEBI:76127) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
cimicoxib (CHEBI:76127) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
cimicoxib (CHEBI:76127) is a aromatic ether (CHEBI:35618)
cimicoxib (CHEBI:76127) is a imidazoles (CHEBI:24780)
cimicoxib (CHEBI:76127) is a organochlorine compound (CHEBI:36683)
cimicoxib (CHEBI:76127) is a organofluorine compound (CHEBI:37143)
cimicoxib (CHEBI:76127) is a sulfonamide (CHEBI:35358)
IUPAC Name 
4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamide
INN  Source
cimicoxibChemIDplus
Synonym  Source
UR-8880ChemIDplus
Manual XrefsDatabases
WO2005020895Patent
WO2005021004Patent
CimicoxibWikipedia
NZ556707Patent
Registry NumbersSources
Reaxys:9505967Reaxys
CAS:265114-23-6ChemIDplus
Citations