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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: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:related_synonym: Erismodegib;   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;   rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
 xref: CAS:956697-53-3
 xref_mesh: MESH:C561435
 xref: Reaxys:19431762;   drugcentral:5008;   kegg.drug:D10119;   lincs.smallmolecule:LSM-4938;   pubmed:23482671;   pubmed:23935925;   pubmed:24523439;   pubmed:24817600;   pubmed:25093491;   pubmed:25216523;   pubmed:25473003;   pubmed:25981810;   pubmed:26106586;   pubmed:26483188;   pubmed:26516158;   pubmed:26546616;   wikipedia.en:Sonidegib
 chemrof_formula: C26H26F3N3O3
 chemrof_smiles: Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
 chemrof_inchi: 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+
 chemrof_inchikey: VZZJRYRQSPEMTK-CALCHBBNSA-N


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sonidegib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gli1 GLI family zinc finger 1 decreases expression ISO sonidegib results in decreased expression of GLI1 mRNA CTD PMID:24973920 NCBI chr 7:65,042,237...65,054,888
Ensembl chr 7:65,042,237...65,054,540 		JBrowse link
G Gli2 GLI family zinc finger 2 decreases expression
multiple interactions
decreases response to substance 		ISO sonidegib results in decreased expression of GLI2 mRNA
sonidegib inhibits the reaction [SUFU gene mutant form results in increased expression of GLI2 mRNA]
GLI2 protein results in decreased susceptibility to sonidegib 		CTD PMID:24973920 NCBI chr13:32,499,678...32,716,418
Ensembl chr13:32,499,678...32,716,418 		JBrowse link
G Mtor mechanistic target of rapamycin kinase increases phosphorylation EXP sonidegib results in increased phosphorylation of MTOR protein CTD PMID:31568847 NCBI chr 5:164,167,985...164,277,438
Ensembl chr 5:164,167,928...164,277,435 		JBrowse link
G Mycn MYCN proto-oncogene, bHLH transcription factor decreases response to substance ISO MYCN protein results in decreased susceptibility to sonidegib CTD PMID:24973920 NCBI chr 6:41,446,683...41,452,584
Ensembl chr 6:41,446,684...41,452,508 		JBrowse link
G Smo smoothened, frizzled class receptor decreases response to substance ISO SMO protein mutant form results in decreased susceptibility to sonidegib CTD PMID:24973920 NCBI chr 4:59,311,084...59,341,280
Ensembl chr 4:59,311,041...59,341,281 		JBrowse link
G Sufu SUFU negative regulator of hedgehog signaling multiple interactions
decreases response to substance 		ISO sonidegib inhibits the reaction [SUFU gene mutant form results in increased expression of GLI2 mRNA]
SUFU gene mutant form results in decreased susceptibility to sonidegib 		CTD PMID:24973920 NCBI chr 1:255,199,108...255,296,983
Ensembl chr 1:255,199,164...255,296,981 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      application 20572
        pharmaceutical 20359
          drug 20359
            antineoplastic agent 18082
              sonidegib 6
                sonidegib phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  carboxamide 17697
                                    monocarboxylic acid amide 14860
                                      arenecarboxamide 8280
                                        benzamides 8283
                                          sonidegib 6
                                            sonidegib phosphate 0
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