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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2014))
IUPAC Name Click here for help
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-9669854, R-HSA-9669900, R-HSA-9695831, R-HSA-9702510
Other databases
CAS Registry No. 849217-68-1 (source: SciFinder)
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

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