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CHEBI:72319 - cabozantinib malate

ChEBI IDCHEBI:72319
ChEBI Namecabozantinib malate
Stars
DefinitionA malate salt that is the mono-(S)-malate salt of cabozantinib. A multi-tyrosine kinase inhibitor, used for the treatment of progressive, metastatic, medullary thyroid cancer.
Last Modified15 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC28H24FN3O5.C4H6O5
Net Charge0
Average Mass635.601
Monoisotopic Mass635.19152
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O
InChIInChI=1S/C28H24FN3O5.C4H6O5/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;5-2(4(8)9)1-3(6)7/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
InChIKeyHFCFMRYTXDINDK-WNQIDUERSA-N
Wikipedia
Roles Classification
Biological Role:
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
ChEBI Ontology
Outgoing Relation(s)
cabozantinib malate (CHEBI:72319) has part cabozantinib (CHEBI:72317)
cabozantinib malate (CHEBI:72319) has role antineoplastic agent (CHEBI:35610)
cabozantinib malate (CHEBI:72319) has role prodrug (CHEBI:50266)
cabozantinib malate (CHEBI:72319) has role tyrosine kinase inhibitor (CHEBI:38637)
cabozantinib malate (CHEBI:72319) is a malate salt (CHEBI:50220)
IUPAC Name 
N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (2S)-2-hydroxybutanedioate
Synonyms  Source
cabozantinib (S)-malateChEBI
Cabozantinib s-malateKEGG DRUG
cabozantinib L-malateChEBI
BMS 907351ChemIDplus
XL-184ChemIDplus
BMS907351ChemIDplus
Brand Names  Source
CometriqKEGG DRUG
CabometyxChEBI
Manual XrefsDatabases
D10095KEGG DRUG
WO2012109510Patent
WO2010083414Patent
CabozantinibWikipedia
Registry NumbersSources
Reaxys:20538692Reaxys
CAS:1140909-48-3KEGG DRUG
CAS:1140909-48-3ChemIDplus
Citations