The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_68647 http://purl.obolibrary.org/obo/CHEBI_68647
Preferred Name	regorafenib
Synonyms	Regorafenibum C21H15ClF4N4O3 regorafenib BAY 73-4506 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide regorafenibum
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	regorafenib
label	regorafenib
DBSynonym	bay 73-4506
ATCCode	L01XE21
Definition	Regorafenib is an orally-administered inhibitor of multiple kinases. It is used for the treatment of metastatic colorectal cancer and advanced gastrointestinal stromal tumours. FDA approved on September 27, 2012. 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.
has pharmacological target	http://purl.obolibrary.org/obo/dinto_0920 http://purl.obolibrary.org/obo/dinto_0929 http://purl.obolibrary.org/obo/dinto_0552 http://purl.obolibrary.org/obo/dinto_2626 http://purl.obolibrary.org/obo/dinto_0899 http://purl.obolibrary.org/obo/dinto_2717 http://purl.obolibrary.org/obo/dinto_1681 http://purl.obolibrary.org/obo/dinto_2206 http://purl.obolibrary.org/obo/dinto_2886 http://purl.obolibrary.org/obo/dinto_2992 http://purl.obolibrary.org/obo/dinto_0912 http://purl.obolibrary.org/obo/dinto_2271 http://purl.obolibrary.org/obo/dinto_3974 http://purl.obolibrary.org/obo/dinto_0376 http://purl.obolibrary.org/obo/dinto_1246 http://purl.obolibrary.org/obo/dinto_1766 http://purl.obolibrary.org/obo/dinto_1765 http://purl.obolibrary.org/obo/dinto_2641 See more See less
inhibits	http://purl.obolibrary.org/obo/dinto_0920 http://purl.obolibrary.org/obo/dinto_0929 http://purl.obolibrary.org/obo/dinto_0552 http://purl.obolibrary.org/obo/dinto_2626 http://purl.obolibrary.org/obo/dinto_0899 http://purl.obolibrary.org/obo/dinto_2717 http://purl.obolibrary.org/obo/dinto_1681 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2206 http://purl.obolibrary.org/obo/dinto_2886 http://purl.obolibrary.org/obo/dinto_2992 http://purl.obolibrary.org/obo/dinto_0912 http://purl.obolibrary.org/obo/dinto_2271 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0265 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_3974 http://purl.obolibrary.org/obo/dinto_0376 http://purl.obolibrary.org/obo/dinto_1246 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_1766 http://purl.obolibrary.org/obo/dinto_1765 http://purl.obolibrary.org/obo/dinto_0276 http://purl.obolibrary.org/obo/dinto_2641 http://purl.obolibrary.org/obo/dinto_0465 See more See less
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_38637 http://purl.obolibrary.org/obo/CHEBI_50908
InChIKey	InChIKey=FNHKPVJBJVTLMP-UHFFFAOYNA-N InChIKey=FNHKPVJBJVTLMP-UHFFFAOYSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_0265 http://purl.obolibrary.org/obo/dinto_0901
AHFScode	10:00
Synonym	Regorafenibum C21H15ClF4N4O3 regorafenib BAY 73-4506 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide regorafenibum See more See less
xref	RxList:http://www.rxlist.com/stivarga-drug.htm CiteXplore:22568966 Patent:WO2008055629 Wikipedia:Regorafenib Patent:WO2007068380 CASRN:755037-03-7 Reaxys:14359949 CiteXplore:22577890 Patent:WO2008089388 Patent:WO2007068382 CiteXplore:22777740 Patent:WO2008089389 Wikipedia:http://en.wikipedia.org/wiki/Regorafenib Patent:WO2007054216 CiteXplore:21752724 Patent:WO2006125540 ChEMBL:1377553 Patent:WO2011128261 Patent:WO2008043446 National Drug Code Directory:50419-171-03 CiteXplore:22421192 Patent:US2006058358 CiteXplore:22612461 Patent:WO2011130728 CiteXplore:22959186 KEGG DRUG:D10138 CiteXplore:21419931 ChEBI:68647 CiteXplore:21170960 CiteXplore:22614970 Patent:WO2008058644 CiteXplore:22785409 CiteXplore:22706543 Drugs.com:http://www.drugs.com/cdi/regorafenib.html See more See less
CASRN	755037-03-7
prefixIRI	obo2:CHEBI_68647
SMILES	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
may interact with	http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_64355 http://purl.obolibrary.org/obo/dinto_DB00762 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/dinto_DB00976 See more See less
InChI	InChI=1/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) 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)
DBBrand	stivarga
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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