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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 7:70,620,794...70,633,171
Ensembl chr 7:70,620,766...70,630,338
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 chr13:34,829,021...35,049,172
Ensembl chr13:34,829,139...35,048,444
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 5:165,263,813...165,373,967
Ensembl chr 5:165,263,800...165,373,967
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 6:38,222,554...38,228,419
Ensembl chr 6:38,222,555...38,228,379
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 4:57,019,941...57,041,779
Ensembl chr 4:57,019,941...57,042,770
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 1:266,143,766...266,241,742
Ensembl chr 1:266,143,818...266,239,016
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      application 19505
        pharmaceutical 19375
          drug 19375
            antineoplastic agent 17034
              sonidegib 6
                sonidegib phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic group 18580
                              organic divalent group 18571
                                organodiyl group 18571
                                  carbonyl group 18479
                                    carbonyl compound 18479
                                      carboxylic acid 18153
                                        carboacyl group 17410
                                          univalent carboacyl group 17410
                                            carbamoyl group 17192
                                              carboxamide 17192
                                                monocarboxylic acid amide 14620
                                                  arenecarboxamide 6541
                                                    benzamides 6541
                                                      sonidegib 6
                                                        sonidegib phosphate 0
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