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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:ivacaftor
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Accession:CHEBI:66901 term browser browse the term
Definition:An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis.
Synonyms:exact_synonym: N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
 related_synonym: Formula=C24H28N2O3;   InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29);   InChIKey=PURKAOJPTOLRMP-UHFFFAOYSA-N;   Kalydeco;   SMILES=CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C;   VX-770;   ivacaftorum
 xref: CAS:873054-44-5;   Drug_Central:4228;   KEGG:D09916
 xref_mesh: MESH:C545203
 xref: PMID:22047557;   PMID:22293084;   PMID:22383668;   PMID:22499233;   PMID:22508750;   PMID:22543461;   PMID:22618984;   PMID:22698459;   PMID:22723294;   PMID:22739718;   PMID:22768130;   Reaxys:11821038;   Wikipedia:Ivacaftor


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biophysical role 0
          membrane transport modulator 0
            CFTR potentiator 0
              ivacaftor 0
                Orkambi 0
Path 2
Term Annotations click to browse term
  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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                ivacaftor 0
                                                  Orkambi 0
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