regorafenib

Ligand id: 5891

Name: regorafenib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 92.35
Molecular weight 482.08
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2013))
IUPAC Name
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
International Nonproprietary Names
INN number INN
9026 regorafenib
Synonyms
BAY 73-4506 | Stivarga®
Database Links
CAS Registry No. 755037-03-7 (source: SciFinder)
ChEBI CHEBI:68647
ChEMBL Ligand CHEMBL1946170
DrugBank Ligand DB08896
PubChem CID 11167602
Search Google for chemical match using the InChIKey FNHKPVJBJVTLMP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FNHKPVJBJVTLMP
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Search UniChem for chemical match using the InChIKey FNHKPVJBJVTLMP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FNHKPVJBJVTLMP
Wikipedia Regorafenib
Comments
Regorafenib is an inhibitor of multiple membrane-bound and intracellular kinases. Although the drug is approved it must carry a Boxed Warning alerting patients and clinicians that severe and fatal liver toxicity was observed in some patients in regorafenib clinical studies. Regorafenib is a Type-2 kinase inhibitor.