cabozantinib   Click here for help

GtoPdb Ligand ID: 5887

Synonyms: BMS907351 | Cabometyx® | Cometriq® | XL-184 | XL184
Approved drug
cabozantinib is an approved drug (FDA (2012), EMA (2014))
Compound class: Synthetic organic
Comment: Cabozantinib is a Type-1, oral, small-molecule tyrosine kinase inhibitor.
Marketed formulations contain cabozantinib S-malate (PubChem CID 25102846).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 98.78
Molecular weight 501.17
XLogP 4.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
Isomeric SMILES COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
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)
InChI Key ONIQOQHATWINJY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2014))
IUPAC Name Click here for help
N-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
International Nonproprietary Names Click here for help
INN number INN
9297 cabozantinib
Synonyms Click here for help
BMS907351 | Cabometyx® | Cometriq® | XL-184 | XL184
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9669718
Reactome Reaction Reactome logo R-HSA-9702510, R-HSA-9695831, R-HSA-9669854, R-HSA-9669900
Other databases
CAS Registry No. 849217-68-1 (source: SciFinder)
ChEBI CHEBI:72317
ChEMBL Ligand CHEMBL2105717
DrugCentral Ligand 4715
GtoPdb PubChem SID 178102511
PubChem CID 25102847
Search Google for chemical match using the InChIKey ONIQOQHATWINJY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ONIQOQHATWINJY
Search PubMed clinical trials cabozantinib
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Search PubMed titles/abstracts cabozantinib
UniChem Compound Search for chemical match using the InChIKey ONIQOQHATWINJY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ONIQOQHATWINJY-UHFFFAOYSA-N
Wikipedia Cabozantinib

Product suppliers

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Tocris
XL 184 (links to external site)
Cat. No. 5422