CHEBI:73038 - parecoxib

ChEBI IDCHEBI:73038
ChEBI Nameparecoxib
Stars
DefinitionAn N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H18N2O4S
Net Charge0
Average Mass370.430
Monoisotopic Mass370.09873
SMILESCCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyTZRHLKRLEZJVIJ-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:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
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.
ChEBI Ontology
Outgoing Relation(s)
parecoxib (CHEBI:73038) has functional parent valdecoxib (CHEBI:63634)
parecoxib (CHEBI:73038) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
parecoxib (CHEBI:73038) has role non-narcotic analgesic (CHEBI:35481)
parecoxib (CHEBI:73038) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
parecoxib (CHEBI:73038) has role prodrug (CHEBI:50266)
parecoxib (CHEBI:73038) is a N-sulfonylcarboxamide (CHEBI:90852)
parecoxib (CHEBI:73038) is a isoxazoles (CHEBI:55373)
IUPAC Name 
N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide
INNs  Source
parécoxibWHO MedNet
parecoxibWHO MedNet
parecoxibumWHO MedNet
parecoxibWHO MedNet
Synonyms  Source
N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamideChemIDplus
SC-69124ChemIDplus
SC 69124ChemIDplus
Manual XrefsDatabases
ParecoxibWikipedia
D02709KEGG DRUG
PXBPDBeChem
LSM-5316LINCS
2063DrugCentral
Registry NumbersSources
Reaxys:8640266Reaxys
CAS:198470-84-7ChemIDplus
CAS:198470-84-7KEGG DRUG