CHEBI:72317 - cabozantinib

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ChEBI Name cabozantinib
ChEBI ID CHEBI:72317
Definition A 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.
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Formula C28H24FN3O5
Net Charge 0
Average Mass 501.50570
Monoisotopic Mass 501.170
InChI InChI=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)
InChIKey ONIQOQHATWINJY-UHFFFAOYSA-N
SMILES 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.
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ChEBI Ontology
Outgoing 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 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 Sources
BMS 907351 ChemIDplus
BMS-907351 ChemIDplus
XL 184 ChemIDplus
XL-184 ChemIDplus
XL184 ChemIDplus
Manual Xrefs Databases
4715 DrugCentral
Cabozantinib Wikipedia
D10062 KEGG DRUG
LSM-1195 LINCS
WO2012109510 Patent
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Registry Numbers Types Sources
18631644 Reaxys Registry Number Reaxys
849217-68-1 CAS Registry Number KEGG DRUG
849217-68-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017