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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:etoricoxib
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Accession:CHEBI:6339 term browser browse the term
Definition:A member of the class of bipyridines that is 2,3'-bipyridine which is substituted at the 3, 5, and 6' positions by 4-(methylsulfonyl)phenyl, chlorine, and methyl groups, respectively.
Synonyms:related_synonym: 5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl;   5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine;   5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine;   5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine;   L791456;   etoricoxibum
 alt_id: CHEBI:106706
 xref: CAS:202409-33-4;   DrugBank:DB01628
 xref_mesh: MESH:C422649
 xref: drugcentral:1113;   kegg.compound:C11718;   kegg.drug:D03710;   lincs.smallmolecule:LSM-5650;   pdb-ccd:5CH;   pubmed:11327589;   pubmed:14761182;   pubmed:15239665;   pubmed:15454242;   pubmed:15916445;   wikipedia.en:Etoricoxib
 chemrof_formula: C18H15ClN2O2S
 chemrof_smiles: Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
 chemrof_inchi: InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
 chemrof_inchikey: MNJVRJDLRVPLFE-UHFFFAOYSA-N


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etoricoxib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP binding cassette subfamily B member 11 decreases activity ISO etoricoxib results in decreased activity of ABCB11 protein CTD PMID:20829430 NCBI chr 3:74,424,620...74,520,646
Ensembl chr 3:74,424,979...74,520,581 		JBrowse link
G Ahr aryl hydrocarbon receptor multiple interactions ISO Etoricoxib inhibits the reaction [2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide results in increased activity of AHR protein] CTD PMID:37890551 NCBI chr 6:57,961,423...57,998,901
Ensembl chr 6:57,961,423...57,998,901 		JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions
increases expression 		ISO 2-(1'H-indole-3'-carbonyl)thiazole-4-carboxylic acid methyl ester promotes the reaction [Etoricoxib results in increased expression of CYP1A1 protein]
Etoricoxib results in increased expression of CYP1A1 mRNA; Etoricoxib results in increased expression of CYP1A1 protein 		CTD PMID:37890551 NCBI chr 8:66,991,940...66,998,014
Ensembl chr 8:66,991,970...66,998,012 		JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 decreases activity ISO etoricoxib results in decreased activity of CYP1A2 protein CTD PMID:18816299 NCBI chr 8:66,971,261...66,978,149
Ensembl chr 8:66,971,261...66,978,149 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases metabolic processing ISO CYP3A4 protein results in increased metabolism of Etoricoxib CTD PMID:18084859 NCBI chr12:14,321,771...14,343,886
Ensembl chr12:14,321,771...14,343,857 		JBrowse link
G Icam1 intercellular adhesion molecule 1 decreases expression ISO etoricoxib results in decreased expression of ICAM1 mRNA; etoricoxib results in decreased expression of ICAM1 protein CTD PMID:17931847 NCBI chr 8:27,829,688...27,841,618
Ensembl chr 8:27,829,161...27,841,617 		JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 multiple interactions
decreases activity 		EXP
ISO 		etoricoxib inhibits the reaction [Ifosfamide results in increased expression of PTGS2 protein]
etoricoxib results in decreased activity of PTGS2 protein; etoricoxib results in decreased activity of PTGS2 protein mutant form 		CTD PMID:17164136 PMID:17638016 PMID:22245433 NCBI chr13:64,714,063...64,722,320
Ensembl chr13:64,713,619...64,722,320 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      application 20572
        anti-inflammatory agent 16713
          anti-inflammatory drug 15094
            non-steroidal anti-inflammatory drug 14401
              etoricoxib 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                organic heterocyclic compound 19381
                                  organonitrogen heterocyclic compound 18491
                                    bipyridines 80
                                      etoricoxib 7
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