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The Drug Ontology
| Preferred Name | sonidegib | |
| Synonyms |
Erismodegib N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide NVP-LDE 225 LDE 225 LDE-225 LDE225 NVP-LDE225 sonidegib rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_90863 |
|
| alternative label |
Erismodegib N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide NVP-LDE 225 LDE 225 LDE-225 LDE225 NVP-LDE225 sonidegib rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
|
|
| charge |
0
|
|
| database_cross_reference |
PMID:25473003 PMID:26106586 PMID:25093491 Drug_Central:5008 CAS:956697-53-3 PMID:23935925 PMID:25981810 PMID:26516158 PMID:26483188 LINCS:LSM-4938 PMID:26546616 KEGG:D10119 PMID:24523439 Reaxys:19431762 PMID:23482671 PMID:25216523 PMID:24817600 Wikipedia:Sonidegib
|
|
| 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.
|
|
| formula |
C26H26F3N3O3
|
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_exact_synonym |
rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Erismodegib N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide NVP-LDE 225 LDE 225 LDE-225 LDE225 NVP-LDE225 sonidegib
|
|
| has_RxCUI |
1659191
|
|
| id |
CHEBI:90863
|
|
| in_subset | ||
| 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
|
|
| label |
sonidegib
|
|
| mass |
485.499
|
|
| monoisotopicmass |
485.19263
|
|
| notation |
CHEBI:90863
|
|
| prefLabel |
sonidegib
|
|
| 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
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_22888 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_22702 http://purl.obolibrary.org/obo/CHEBI_38207 |
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