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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:exact_synonym: 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
 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;   Formula=C18H15ClN2O2S;   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;   InChIKey=MNJVRJDLRVPLFE-UHFFFAOYSA-N;   L791456;   SMILES=Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O;   etoricoxibum
 alt_id: CHEBI:106706
 xref: CAS:202409-33-4;   DrugBank:DB01628;   Drug_Central:1113;   KEGG:C11718;   KEGG:D03710;   LINCS:LSM-5650
 xref_mesh: MESH:C422649
 xref: PDBeChem:5CH;   PMID:11327589;   PMID:14761182;   PMID:15239665;   PMID:15454242;   PMID:15916445;   Wikipedia:Etoricoxib


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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 3:55,480,024...55,587,946
Ensembl chr 3:55,480,024...55,587,946
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 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 increases metabolic processing ISO CYP3A4 protein results in increased metabolism of Etoricoxib CTD PMID:18084859 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
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 8:22,035,287...22,047,049
Ensembl chr 8:22,035,256...22,047,059
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 chr13:67,351,230...67,356,920
Ensembl chr13:67,351,087...67,359,335
JBrowse link

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  CHEBI ontology 19773
    role 19723
      application 19413
        anti-inflammatory agent 15761
          anti-inflammatory drug 13619
            non-steroidal anti-inflammatory drug 12714
              etoricoxib 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19583
                        carbon atom 19573
                          organic molecular entity 19573
                            organic molecule 19505
                              organic cyclic compound 19332
                                organic heterocyclic compound 18519
                                  organonitrogen heterocyclic compound 17526
                                    bipyridines 1528
                                      etoricoxib 5
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