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CHEBI:41423 - celecoxib

Default Structure
ChEBI IDCHEBI:41423
ChEBI Namecelecoxib
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis.
Secondary ChEBI IDsCHEBI:3520, CHEBI:41418
Last Modified23 September 2021
DownloadsMolfile
FormulaC17H14F3N3O2S
Net Charge0
Average Mass381.379
Monoisotopic Mass381.07588
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKeyRZEKVGVHFLEQIL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
Applications:
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
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.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
celecoxib (CHEBI:41423) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
celecoxib (CHEBI:41423) has role geroprotector (CHEBI:176497)
celecoxib (CHEBI:41423) has role non-narcotic analgesic (CHEBI:35481)
celecoxib (CHEBI:41423) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
celecoxib (CHEBI:41423) is a organofluorine compound (CHEBI:37143)
celecoxib (CHEBI:41423) is a pyrazoles (CHEBI:26410)
celecoxib (CHEBI:41423) is a sulfonamide (CHEBI:35358)
celecoxib (CHEBI:41423) is a toluenes (CHEBI:27024)
IUPAC Name 
4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
INNs  Source
celecoxibWHO MedNet
celecoxibWHO MedNet
célécoxibWHO MedNet
celecoxibumWHO MedNet
Synonyms  Source
CelecoxibKEGG COMPOUND
p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamideChemIDplus
Brand Name  Source
CelebrexKEGG DRUG
Manual XrefsDatabases
2562ChemSpider
568DrugCentral
C07589KEGG COMPOUND
CELPDBeChem
CelecoxibWikipedia
D00567KEGG DRUG
DB00482DrugBank
FDB023586FooDB
HMDB0005014HMDB
LSM-2032LINCS
Registry NumbersSources
Reaxys:8280770Reaxys
CAS:169590-42-5NIST Chemistry WebBook
CAS:169590-42-5ChemIDplus
CAS:184007-95-2ChemIDplus
Citations