celecoxib (CHEBI:41423)

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ChEBI Name	celecoxib

ChEBI ID	CHEBI:41423

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:41418, CHEBI:3520

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Formula

C17H14F3N3O2S

Net Charge

Average Mass

381.370

Monoisotopic Mass

381.07588

InChI

InChI=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)

InChIKey

RZEKVGVHFLEQIL-UHFFFAOYSA-N

SMILES

CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F

Roles Classification
Biological Role(s):	cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.

Application(s):	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. 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. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.

ChEBI Ontology
Outgoing	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

Synonyms	Sources
Celecoxib	KEGG COMPOUND
p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide	ChemIDplus

Brand Name	Source
Celebrex	KEGG DRUG

Last Modified

23 September 2021