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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 5:49,307,584...49,333,064
Ensembl chr 5:49,311,030...49,333,056
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Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        pro-agent 8855
          prodrug 8621
            parecoxib 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic heterocyclic compound 18432
                                  heteroarene 16467
                                    monocyclic heteroarene 13313
                                      azole 12480
                                        oxazole 3300
                                          isoxazoles 3080
                                            valdecoxib 721
                                              parecoxib 1
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