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CHEBI:50924 - sorafenib

ChEBI IDCHEBI:50924
ChEBI Namesorafenib
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:47228
Last Modified5 September 2022
SubmitterInma Spiteri
DownloadsMolfile
FormulaC21H16ClF3N4O3
Net Charge0
Average Mass464.831
Monoisotopic Mass464.08630
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
InChIInChI=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)
InChIKeyMLDQJTXFUGDVEO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
ferroptosis inducer  Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
sorafenib (CHEBI:50924) has role angiogenesis inhibitor (CHEBI:48422)
sorafenib (CHEBI:50924) has role anticoronaviral agent (CHEBI:149553)
sorafenib (CHEBI:50924) has role antineoplastic agent (CHEBI:35610)
sorafenib (CHEBI:50924) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
sorafenib (CHEBI:50924) has role ferroptosis inducer (CHEBI:173085)
sorafenib (CHEBI:50924) has role tyrosine kinase inhibitor (CHEBI:38637)
sorafenib (CHEBI:50924) is a (trifluoromethyl)benzenes (CHEBI:83565)
sorafenib (CHEBI:50924) is a aromatic ether (CHEBI:35618)
sorafenib (CHEBI:50924) is a monochlorobenzenes (CHEBI:83403)
sorafenib (CHEBI:50924) is a phenylureas (CHEBI:134043)
sorafenib (CHEBI:50924) is a pyridinecarboxamide (CHEBI:25529)
Incoming Relation(s)
sorafenib tosylate (CHEBI:50928) has part sorafenib (CHEBI:50924)
IUPAC Name 
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide
INNs  Source
sorafenibWHO MedNet
sorafénibWHO MedNet
sorafenibumWHO MedNet
sorafenibWHO MedNet
Synonyms  Source
4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamideChemIDplus
N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)ureaChemIDplus
Manual XrefsDatabases
BAXPDBeChem
DB00398DrugBank
SorafenibWikipedia
LSM-1008LINCS
D08524KEGG DRUG
2459DrugCentral
Registry NumbersSources
CAS:284461-73-0ChemIDplus
Citations