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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 4:46,561,269...46,728,759
Ensembl chr 4:46,560,885...46,728,756
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      biological role 19769
        biophysical role 13085
          membrane transport modulator 12899
            CFTR potentiator 116
              ivacaftor 1
                Orkambi 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        carboacyl group 17485
                                          univalent carboacyl group 17485
                                            carbamoyl group 17299
                                              carboxamide 17299
                                                monocarboxylic acid amide 15008
                                                  ivacaftor 1
                                                    Orkambi 0
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