CHEBI:68647 - regorafenib

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ChEBI Name regorafenib
ChEBI ID CHEBI:68647
Definition A pyridinecarboxamide obtained by condensation of 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridine-2-carboxylic acid with methylamine. Used for for the treatment of metastatic colorectal cancer in patients who have previously received chemotherapy, anti-EGFR or anti-VEGF therapy.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H15ClF4N4O3
Net Charge 0
Average Mass 482.816
Monoisotopic Mass 482.07688
InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
InChIKey FNHKPVJBJVTLMP-UHFFFAOYSA-N
SMILES C1(=C(C=C(C=C1)NC(NC2=CC=C(C=C2F)OC3=CC=NC(=C3)C(NC)=O)=O)C(F)(F)F)Cl
Roles Classification
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
hepatotoxic agent
A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing regorafenib (CHEBI:68647) has role antineoplastic agent (CHEBI:35610)
regorafenib (CHEBI:68647) has role hepatotoxic agent (CHEBI:50908)
regorafenib (CHEBI:68647) has role tyrosine kinase inhibitor (CHEBI:38637)
regorafenib (CHEBI:68647) is a (trifluoromethyl)benzenes (CHEBI:83565)
regorafenib (CHEBI:68647) is a aromatic ether (CHEBI:35618)
regorafenib (CHEBI:68647) is a monochlorobenzenes (CHEBI:83403)
regorafenib (CHEBI:68647) is a monofluorobenzenes (CHEBI:83575)
regorafenib (CHEBI:68647) is a phenylureas (CHEBI:134043)
regorafenib (CHEBI:68647) is a pyridinecarboxamide (CHEBI:25529)
Incoming regorafenib hydrate (CHEBI:68646) has part regorafenib (CHEBI:68647)
IUPAC Name
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
INNs Sources
regorafenib WHO MedNet
régorafénib WHO MedNet
regorafenib KEGG DRUG
regorafenibum WHO MedNet
Synonyms Sources
BAY 73-4506 ChEBI
Regorafenibum ChemIDplus
Manual Xrefs Databases
4654 DrugCentral
D10138 KEGG DRUG
LSM-1226 LINCS
Regorafenib Wikipedia
US2006058358 Patent
WO2006125540 Patent
WO2007054216 Patent
WO2007068380 Patent
WO2007068382 Patent
WO2008043446 Patent
WO2008055629 Patent
WO2008058644 Patent
WO2008089388 Patent
WO2008089389 Patent
WO2011128261 Patent
WO2011130728 Patent
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Registry Numbers Types Sources
14359949 Reaxys Registry Number Reaxys
755037-03-7 CAS Registry Number ChemIDplus
755037-03-7 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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22959186 PubMed citation Europe PMC
Last Modified
22 February 2017