CHEBI:90863 - sonidegib

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ChEBI Name sonidegib
ChEBI ID CHEBI:90863
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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H26F3N3O3
Net Charge 0
Average Mass 485.499
Monoisotopic Mass 485.193
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+
InChIKey VZZJRYRQSPEMTK-CALCHBBNSA-N
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
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): Hedgehog signaling pathway inhibitor
Any pathway inhibitor that inhibits the Hedgehog signalling pathway.
SMO receptor antagonist
An antagonist that interferes with the action of smoothened (SMO) receptor.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing sonidegib (CHEBI:90863) has role antineoplastic agent (CHEBI:35610)
sonidegib (CHEBI:90863) has role Hedgehog signaling pathway inhibitor (CHEBI:140921)
sonidegib (CHEBI:90863) has role SMO receptor antagonist (CHEBI:66908)
sonidegib (CHEBI:90863) is a aminopyridine (CHEBI:38207)
sonidegib (CHEBI:90863) is a aromatic ether (CHEBI:35618)
sonidegib (CHEBI:90863) is a benzamides (CHEBI:22702)
sonidegib (CHEBI:90863) is a biphenyls (CHEBI:22888)
sonidegib (CHEBI:90863) is a morpholines (CHEBI:38785)
sonidegib (CHEBI:90863) is a organofluorine compound (CHEBI:37143)
sonidegib (CHEBI:90863) is a tertiary amino compound (CHEBI:50996)
Incoming sonidegib phosphate (CHEBI:90864) has part sonidegib (CHEBI:90863)
IUPAC Name
rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
INN Source
sonidegib KEGG DRUG
Synonyms Sources
Erismodegib ChemIDplus
LDE 225 ChemIDplus
LDE-225 ChemIDplus
LDE225 ChemIDplus
N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide IUPAC
NVP-LDE 225 ChemIDplus
NVP-LDE225 ChemIDplus
Manual Xrefs Databases
5008 DrugCentral
D10119 KEGG DRUG
LSM-4938 LINCS
Sonidegib Wikipedia
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Registry Numbers Types Sources
19431762 Reaxys Registry Number Reaxys
956697-53-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23482671 PubMed citation Europe PMC
23935925 PubMed citation Europe PMC
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25473003 PubMed citation Europe PMC
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26483188 PubMed citation Europe PMC
26516158 PubMed citation Europe PMC
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Last Modified
01 June 2018