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:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
Applications:
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.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
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.
ChEBI Ontology
Outgoing Relation(s)
parecoxib (CHEBI:73038) has functional parent valdecoxib (CHEBI:63634)
parecoxib (CHEBI:73038) has role analgesic (CHEBI:35480)
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
parecoxibWHO MedNet
parecoxibWHO MedNet
parécoxibWHO MedNet
parecoxibumWHO MedNet
Synonyms  Source
N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamideChemIDplus
RayzonChEMBL
SC 69124ChemIDplus
SC-69124ChemIDplus
Manual XrefsDatabases
2063DrugCentral
D02709KEGG DRUG
LSM-5316LINCS
ParecoxibWikipedia
PXBPDBeChem
Registry NumbersSources
Reaxys:8640266Reaxys
CAS:198470-84-7KEGG DRUG
CAS:198470-84-7ChemIDplus
Citations