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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-Kruppel family member GLI1 decreases expression EXP sonidegib results in decreased expression of GLI1 mRNA CTD PMID:24973920 NCBI chr10:127,165,751...127,177,448
Ensembl chr10:127,165,751...127,177,843 		JBrowse link
G Gli2 GLI-Kruppel family member GLI2 decreases response to substance
multiple interactions
decreases expression		 ISO
EXP		 GLI2 protein results in decreased susceptibility to sonidegib
sonidegib inhibits the reaction [SUFU gene mutant form results in increased expression of GLI2 mRNA]
sonidegib results in decreased expression of GLI2 mRNA		 CTD PMID:24973920 NCBI chr 1:118,761,791...118,987,578
Ensembl chr 1:118,761,862...118,981,349 		JBrowse link
G Mtor mechanistic target of rapamycin kinase increases phosphorylation ISO sonidegib results in increased phosphorylation of MTOR protein CTD PMID:31568847 NCBI chr 4:148,533,039...148,642,142
Ensembl chr 4:148,533,068...148,642,140 		JBrowse link
G Mycn v-myc avian myelocytomatosis viral related oncogene, neuroblastoma derived decreases response to substance ISO MYCN protein results in decreased susceptibility to sonidegib CTD PMID:24973920 NCBI chr12:12,986,094...12,991,837
Ensembl chr12:12,986,094...12,991,915 		JBrowse link
G Smo smoothened, frizzled class receptor decreases response to substance EXP SMO protein mutant form results in decreased susceptibility to sonidegib CTD PMID:24973920 NCBI chr 6:29,735,480...29,761,359
Ensembl chr 6:29,735,502...29,761,364 		JBrowse link
G Sufu SUFU negative regulator of hedgehog signaling multiple interactions
decreases response to substance		 EXP
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 chr19:46,385,335...46,477,243
Ensembl chr19:46,385,335...46,477,243 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22306
    role 22291
      application 21905
        pharmaceutical 21260
          drug 21260
            antineoplastic agent 18957
              sonidegib 6
                sonidegib phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22306
    subatomic particle 22301
      composite particle 22301
        hadron 22301
          baryon 22301
            nucleon 22301
              atomic nucleus 22301
                atom 22301
                  main group element atom 22181
                    p-block element atom 22181
                      carbon group element atom 21983
                        carbon atom 21923
                          organic molecular entity 21923
                            heteroorganic entity 21563
                              organochalcogen compound 21047
                                organooxygen compound 20895
                                  carbon oxoacid 19643
                                    carboxylic acid 19639
                                      carboacyl group 18307
                                        univalent carboacyl group 18307
                                          carbamoyl group 18128
                                            carboxamide 18128
                                              monocarboxylic acid amide 15901
                                                arenecarboxamide 8301
                                                  benzamides 8301
                                                    sonidegib 6
                                                      sonidegib phosphate 0
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