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.
Supplier Information eMolecules:636962, ZINC000100044649
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Pitavastatin (usually as a calcium salt) is a member of the blood cholesterol lowering medication class of statins. Pitavastatin is an inhibitor of HMG-CoA reductase, the enzyme that catalyses the first step of cholesterol synthesis. It was patented in 1987 and approved for medical use in 2003. It is available in Japan, South Korea and in India. In the US, it received FDA approval in 2009. Kowa Pharmaceuticals, a subsidiary of Kowa Company, is the owner of the American patent to pitavastatin.
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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 exhibiting 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
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
Last Modified
22 February 2017