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ONTOLOGY REPORT - ANNOTATIONS


Term:sonidegib
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Accession:CHEBI:90863 term browser browse the term
Definition:A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma.
Synonyms:exact_synonym: rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
 related_synonym: Erismodegib;   Formula=C26H26F3N3O3;   InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+;   InChIKey=VZZJRYRQSPEMTK-CALCHBBNSA-N;   LDE 225;   LDE225;   N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide;   NVP-LDE 225;   NVP-LDE225;   SMILES=O1[C@H](CN(C[C@H]1C)C2=NC=C(C=C2)NC(C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F)=O)C
 xref: CAS:956697-53-3 "ChemIDplus";   Drug_Central:5008 "DrugCentral";   KEGG:D10119;   LINCS:LSM-4938;   PMID:23482671 "Europe PMC";   PMID:23935925 "Europe PMC";   PMID:24523439 "Europe PMC";   PMID:24817600 "Europe PMC";   PMID:25093491 "Europe PMC";   PMID:25216523 "Europe PMC";   PMID:25473003 "Europe PMC";   PMID:25981810 "Europe PMC";   PMID:26106586 "Europe PMC";   PMID:26483188 "Europe PMC";   PMID:26516158 "Europe PMC";   PMID:26546616 "Europe PMC";   Reaxys:19431762 "Reaxys";   Wikipedia:Sonidegib


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Path 1
Term Annotations click to browse term
  CHEBI ontology 23699
    role 23588
      application 22987
        pharmaceutical 22524
          drug 22524
            antineoplastic agent 18688
              sonidegib 0
                sonidegib phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23699
    subatomic particle 23646
      composite particle 23646
        hadron 23646
          baryon 23646
            nucleon 23646
              atomic nucleus 23646
                atom 23646
                  main group element atom 23465
                    p-block element atom 23465
                      carbon group element atom 23166
                        carbon atom 23143
                          organic molecular entity 23143
                            organic group 21827
                              organic divalent group 21797
                                organodiyl group 21797
                                  carbonyl group 21768
                                    carbonyl compound 21768
                                      carboxylic acid 20796
                                        carboacyl group 18731
                                          univalent carboacyl group 18731
                                            carbamoyl group 18051
                                              carboxamide 18051
                                                monocarboxylic acid amide 14144
                                                  arenecarboxamide 7229
                                                    benzamides 7229
                                                      sonidegib 0
                                                        sonidegib phosphate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.