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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
decreases response to substance
multiple interactions		 ISO sonidegib results in decreased expression of GLI2 mRNA
GLI2 protein results in decreased susceptibility to sonidegib
sonidegib inhibits the reaction [SUFU gene mutant form results in increased expression of GLI2 mRNA]		 CTD PMID:24973920 NCBI chr13:29,946,809...30,163,901
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 4:58,344,101...58,372,828
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 19800
    role 19751
      application 19498
        pharmaceutical 19356
          drug 19356
            antineoplastic agent 17359
              sonidegib 6
                sonidegib phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            carbamoyl group 17285
                                              carboxamide 17285
                                                monocarboxylic acid amide 15010
                                                  arenecarboxamide 7270
                                                    benzamides 7270
                                                      sonidegib 6
                                                        sonidegib phosphate 0
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