CHEBI:72319 - cabozantinib malate

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ChEBI Name cabozantinib malate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H30FN3O10
Net Charge 0
Average Mass 635.59310
Monoisotopic Mass 635.19152
InChI InChI=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
SMILES O[C@@H](CC(O)=O)C(O)=O.COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Roles Classification
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
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ChEBI Ontology
Outgoing 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)
N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (2S)-2-hydroxybutanedioate
Synonyms Sources
BMS 907351 ChemIDplus
BMS907351 ChemIDplus
cabozantinib (S)-malate ChEBI
cabozantinib L-malate ChEBI
Cabozantinib s-malate KEGG DRUG
XL 184 ChemIDplus
XL-184 ChemIDplus
XL184 ChemIDplus
Brand Names Sources
Cabometyx ChEBI
Cometriq KEGG DRUG
Manual Xrefs Databases
Cabozantinib Wikipedia
WO2010083414 Patent
WO2012109510 Patent
View more database links
Registry Numbers Types Sources
1140909-48-3 CAS Registry Number ChemIDplus
1140909-48-3 CAS Registry Number KEGG DRUG
20538692 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23319797 PubMed citation Europe PMC
Last Modified
15 August 2016