loading...| Preferred Name |
sorafenib |
|
| Synonyms |
sorafenibum 4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea sorafenib 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide |
|
| Definitions |
A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by a 4-chloro-3-trifluorophenyl group while the other is substituted by a phenyl group which, in turn, is substituted at the para position by a [2-(methylcarbamoyl)pyridin-4-yl]oxy group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50924 |
|
| alternative term |
sorafenibum 4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea sorafenib 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide |
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50925 http://purl.obolibrary.org/obo/CHEBI_38637 http://purl.obolibrary.org/obo/CHEBI_149553 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:19633425 PMID:36029544 PMID:18520294 PMID:19821497 KEGG:D08524 DrugBank:DB00398 LINCS:LSM-1008 Drug_Central:2459 PDBeChem:BAX Wikipedia:Sorafenib PMID:19568496 CAS:284461-73-0 |
|
| formula |
C21H16ClF3N4O3 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50925 http://purl.obolibrary.org/obo/CHEBI_38637 http://purl.obolibrary.org/obo/CHEBI_149553 |
|
| has_alternative_id |
CHEBI:47228 |
|
| has_exact_synonym |
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
sorafenibum 4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea sorafenib |
|
| has_RxCUI |
495881 |
|
| id |
CHEBI:50924 |
|
| in_subset | ||
| inchi |
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) |
|
| inchikey |
MLDQJTXFUGDVEO-UHFFFAOYSA-N |
|
| label |
sorafenib |
|
| mass |
464.826 |
|
| monoisotopicmass |
464.08630 |
|
| notation |
CHEBI:50924 |
|
| prefixIRI |
CHEBI:50924 |
|
| prefLabel |
sorafenib |
|
| smiles |
C1(=C(C=C(C=C1)NC(NC2=CC=C(C=C2)OC3=CC=NC(=C3)C(NC)=O)=O)C(F)(F)F)Cl |
|
| textual definition |
A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by a 4-chloro-3-trifluorophenyl group while the other is substituted by a phenyl group which, in turn, is substituted at the para position by a [2-(methylcarbamoyl)pyridin-4-yl]oxy group. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25529 http://purl.obolibrary.org/obo/CHEBI_134043 http://purl.obolibrary.org/obo/CHEBI_35618 |