CHEBI:72319 - cabozantinib malate

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ChEBI Name cabozantinib malate
ChEBI ID CHEBI:72319
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
InChIKey HFCFMRYTXDINDK-WNQIDUERSA-N
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.
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.
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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)
IUPAC Name
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
D10095 KEGG DRUG
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