CHEBI:68647 - regorafenib

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name regorafenib
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.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
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)
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 phenylureas (CHEBI:134043)
regorafenib (CHEBI:68647) is a pyridinecarboxamide (CHEBI:25529)
Incoming regorafenib hydrate (CHEBI:68646) has part regorafenib (CHEBI:68647)
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
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
View more database links
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
21752724 PubMed citation Europe PMC
22421192 PubMed citation Europe PMC
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
22 February 2017