CHEBI:72317 - cabozantinib

ChEBI IDCHEBI:72317
ChEBI Namecabozantinib
Stars
DefinitionA dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC28H24FN3O5
Net Charge0
Average Mass501.514
Monoisotopic Mass501.17000
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC
InChIInChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyONIQOQHATWINJY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cabozantinib (CHEBI:72317) has role antineoplastic agent (CHEBI:35610)
cabozantinib (CHEBI:72317) has role tyrosine kinase inhibitor (CHEBI:38637)
cabozantinib (CHEBI:72317) is a aromatic ether (CHEBI:35618)
cabozantinib (CHEBI:72317) is a dicarboxylic acid diamide (CHEBI:35779)
cabozantinib (CHEBI:72317) is a organofluorine compound (CHEBI:37143)
cabozantinib (CHEBI:72317) is a quinolines (CHEBI:26513)
Incoming Relation(s)
cabozantinib malate (CHEBI:72319) has part cabozantinib (CHEBI:72317)
IUPAC Name 
N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Synonyms  Source
XL 184ChemIDplus
XL-184ChemIDplus
BMS 907351ChemIDplus
XL184ChemIDplus
BMS-907351ChemIDplus
Manual XrefsDatabases
D10062KEGG DRUG
WO2012109510Patent
CabozantinibWikipedia
LSM-1195LINCS
4715DrugCentral
Registry NumbersSources
Reaxys:18631644Reaxys
CAS:849217-68-1KEGG DRUG
CAS:849217-68-1ChemIDplus
Citations