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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 482.81500
Monoisotopic Mass 482.077
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 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
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.
View more via ChEBI Ontology
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 pyridinecarboxamide (CHEBI:25529)
regorafenib (CHEBI:68647) is a ureas (CHEBI:47857)
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
Database Links Databases
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
21170960 PubMed citation Europe PMC
21419931 PubMed citation Europe PMC
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22568966 PubMed citation Europe PMC
22577890 PubMed citation Europe PMC
22612461 PubMed citation Europe PMC
22614970 PubMed citation Europe PMC
22706543 PubMed citation Europe PMC
22777740 PubMed citation Europe PMC
22785409 PubMed citation Europe PMC
22959186 PubMed citation Europe PMC
Last Modified
24 February 2016