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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 Abcb11 ATP binding cassette subfamily B member 11 increases activity
multiple interactions		 EXP ivacaftor results in increased activity of ABCB11 protein mutant form
ivacaftor inhibits the reaction [ABCB11 protein mutant form results in decreased transport of Taurocholic Acid]		 CTD PMID:36142670 NCBI chr 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730 		JBrowse link
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 inhibits the reaction [Vehicle Emissions results in decreased activity of CFTR protein]
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 PMID:34601066 NCBI chr 4:46,561,269...46,728,759
Ensembl chr 4:46,560,885...46,728,756 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        biophysical role 14056
          membrane transport modulator 13899
            CFTR potentiator 122
              ivacaftor 2
                Orkambi 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      carboacyl group 17675
                                        univalent carboacyl group 17675
                                          carbamoyl group 17524
                                            carboxamide 17547
                                              monocarboxylic acid amide 15660
                                                ivacaftor 2
                                                  Orkambi 0
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