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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:lumiracoxib
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Accession:CHEBI:73044 term browser browse the term
Definition:An amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity.
Synonyms:exact_synonym: {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid
 related_synonym: 2-((2-chloro-6-fluorophenyl)amino)-5-methylbenzeneacetic acid;   COX 189;   COX189;   Formula=C15H13ClFNO2;   InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20);   InChIKey=KHPKQFYUPIUARC-UHFFFAOYSA-N;   Prexige;   SMILES=Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1;   lumiracoxibum
 xref: CAS:220991-20-8;   DrugBank:DB01283;   Drug_Central:1618;   HMDB:HMDB0015403;   KEGG:D03714
 xref_mesh: MESH:C473384
 xref: PDBeChem:LUR;   PMID:14965322;   PMID:15311562;   PMID:15456339;   PMID:17380211;   PMID:19800190;   PMID:21688392;   PMID:22069133;   PMID:22142375;   PMID:22621454;   PMID:22732767;   Reaxys:9784107;   Wikipedia:Lumiracoxib

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  CHEBI ontology 0
    role 0
      application 0
        anti-inflammatory agent 0
          anti-inflammatory drug 0
            non-steroidal anti-inflammatory drug 0
              lumiracoxib 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        secondary amino compound 0
                                          lumiracoxib 0
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