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ONTOLOGY REPORT - ANNOTATIONS


Term:lumacaftor
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Accession:CHEBI:90951 term browser browse the term
Definition:An aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis.
Synonyms:exact_synonym: 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid
 related_synonym: Formula=C24H18F2N2O5;   InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31);   InChIKey=UFSKUSARDNFIRC-UHFFFAOYSA-N;   SMILES=C1(C(NC2=CC=C(C(=N2)C3=CC(=CC=C3)C(O)=O)C)=O)(C4=CC5=C(C=C4)OC(O5)(F)F)CC1;   VRT-826809;   VX-809
 xref: CAS:936727-05-8 "ChemIDplus";   CAS:936727-05-8 "KEGG DRUG";   Drug_Central:5010 "DrugCentral";   KEGG:D10134
 xref_mesh: MESH:C569105
 xref: PMID:24771136 "Europe PMC";   PMID:24973281 "Europe PMC";   PMID:25981758 "Europe PMC";   PMID:26071414 "Europe PMC";   PMID:26416827 "Europe PMC";   PMID:26417173 "Europe PMC";   PMID:26492939 "Europe PMC";   PMID:26506855 "Europe PMC";   PMID:26510034 "Europe PMC";   PMID:26510035 "Europe PMC";   PMID:26567541 "Europe PMC";   PMID:26581802 "Europe PMC";   PMID:26718821 "Europe PMC";   Reaxys:12892616 "Reaxys";   Wikipedia:Lumacaftor


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lumacaftor term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Capn1 calpain 1 JBrowse link 1 221,346,081 221,370,965 RGD:6480464
G Cftr CF transmembrane conductance regulator JBrowse link 4 42,693,263 42,860,679 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      biological role 19678
        biophysical role 12251
          membrane transport modulator 12029
            CFTR potentiator 27
              lumacaftor 2
                Orkambi 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        aromatic carboxylic acid 10743
                                          benzoic acids 10709
                                            lumacaftor 2
                                              Orkambi 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.