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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:CFTRinh-172
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Accession:CHEBI:131686 term browser browse the term
Definition:A thiazolidinone that is 2-thioxo-4-thiazolidinone which is substituted at position 3 by a (m--trifluoromethyl)phenyl group and at position 5 by a p-carboxybenzylidene group. It is an inhibitor of cystic fibrosis transmembrane conductance regulator, a membrane protein and chloride channel in vertebrates that is encoded by the CFTR gene.
Synonyms:exact_synonym: 4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)benzoic acid
 related_synonym: (inh)-172;   3-[(3-trifluoromethyl)phenyl]-5-[(3-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone;   5-[(4-carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl]-4-thiazolidinone;   C2992_SIGMA;   CFTR(inh)-172;   Cystic fibrosis transmembrane conductance regulator inhibitor CFTR(inh)-172;   Formula=C18H10F3NO3S2;   InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25);   InChIKey=JIMHYXZZCWVCMI-UHFFFAOYSA-N;   SMILES=C1(N(C(SC1=CC=2C=CC(=CC2)C(=O)O)=S)C=3C=CC=C(C3)C(F)(F)F)=O;   cystic fibrosis transmembrane regulator inhibitor 172
 xref: CAS:307510-92-5;   PMID:15131065;   PMID:18366345;   PMID:20051483;   PMID:21940661;   PMID:21998142;   PMID:24758416;   Reaxys:9949257


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Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        refrigerant 17439
          tetrafluoromethane 6335
            trifluoromethyl group 6335
              (trifluoromethyl)benzenes 6335
                CFTRinh-172 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            organic hydride 18269
                              organic fundamental parent 18269
                                hydrocarbon 17988
                                  halohydrocarbon 13956
                                    haloalkane 11674
                                      fluoroalkane 7118
                                        fluoromethanes 6335
                                          tetrafluoromethane 6335
                                            trifluoromethyl group 6335
                                              (trifluoromethyl)benzenes 6335
                                                CFTRinh-172 0
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