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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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ivacaftor term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cftr CF transmembrane conductance regulator multiple interactions
increases activity
ISO [ivacaftor co-treated with Colforsin co-treated with lumacaftor] results in increased activity of CFTR protein mutant form; [ivacaftor co-treated with Colforsin] results in increased activity of CFTR protein; [ivacaftor results in increased activity of CFTR protein mutant form] which affects the transport of Sodium; [ivacaftor results in increased activity of CFTR protein mutant form] which results in increased secretion of Chlorides
ivacaftor results in increased activity of CFTR protein; ivacaftor results in increased activity of CFTR protein mutant form
CTD PMID:19846789 PMID:21083385 PMID:21602569 PMID:32374624 NCBI chr 4:42,693,263...42,860,679
Ensembl chr 4:42,692,836...42,860,676
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        biophysical role 12651
          membrane transport modulator 12450
            CFTR potentiator 27
              ivacaftor 1
                Orkambi 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic acid 18108
                                        carboacyl group 17369
                                          univalent carboacyl group 17369
                                            carbamoyl group 17156
                                              carboxamide 17156
                                                monocarboxylic acid amide 14573
                                                  ivacaftor 1
                                                    Orkambi 0
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