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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:parecoxib
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Accession:CHEBI:73038 term browser browse the term
Definition:An N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib.
Synonyms:exact_synonym: N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide
 related_synonym: Formula=C19H18N2O4S;   InChI=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);   InChIKey=TZRHLKRLEZJVIJ-UHFFFAOYSA-N;   N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide;   SC-69124;   SMILES=CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1;   parecoxibum
 xref: CAS:198470-84-7;   Drug_Central:2063;   KEGG:D02709;   LINCS:LSM-5316
 xref_mesh: MESH:C409945
 xref: PDBeChem:PXB;   Reaxys:8640266;   Wikipedia:Parecoxib



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parecoxib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cnr1 cannabinoid receptor 1 increases response to substance ISO CNR1 protein results in increased susceptibility to parecoxib CTD PMID:23371449 NCBI chr 5:48,408,543...48,436,099
Ensembl chr 5:48,408,574...48,435,099
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Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 20050
    role 20001
      application 19737
        pro-agent 10143
          prodrug 9947
            parecoxib 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic molecule 19809
                              organic cyclic compound 19572
                                organic heterocyclic compound 18799
                                  heteroarene 16602
                                    monocyclic heteroarene 13592
                                      azole 12821
                                        oxazole 3630
                                          isoxazoles 3102
                                            valdecoxib 724
                                              parecoxib 1
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