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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: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;   Drug_Central:5008;   KEGG:D10119;   LINCS:LSM-4938
 xref_mesh: MESH:C561435
 xref: PMID:23482671;   PMID:23935925;   PMID:24523439;   PMID:24817600;   PMID:25093491;   PMID:25216523;   PMID:25473003;   PMID:25981810;   PMID:26106586;   PMID:26483188;   PMID:26516158;   PMID:26546616;   Reaxys:19431762;   Wikipedia:Sonidegib


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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 7:63,156,926...63,169,579
Ensembl chr 7:63,156,926...63,169,251 		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 chr13:29,946,882...30,163,589
Ensembl chr13:29,946,809...30,163,574 		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 5:158,884,856...158,994,311
Ensembl chr 5:158,884,804...158,994,311 		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 6:35,717,764...35,723,590
Ensembl chr 6:35,717,764...35,723,590 		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 4:58,343,626...58,373,823
Ensembl chr 4:58,343,529...58,373,829 		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 1:245,257,725...245,355,576
Ensembl chr 1:245,257,768...245,355,577 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        pharmaceutical 19494
          drug 19494
            antineoplastic agent 17763
              sonidegib 6
                sonidegib phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19731
                        carbon atom 19727
                          organic molecular entity 19727
                            heteroorganic entity 19484
                              organochalcogen compound 19248
                                organooxygen compound 19165
                                  carbon oxoacid 18633
                                    carboxylic acid 18630
                                      carboacyl group 17703
                                        univalent carboacyl group 17703
                                          carbamoyl group 17553
                                            carboxamide 17553
                                              monocarboxylic acid amide 15683
                                                arenecarboxamide 8251
                                                  benzamides 8251
                                                    sonidegib 6
                                                      sonidegib phosphate 0
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