The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_68534 http://purl.obolibrary.org/obo/CHEBI_68534
Preferred Name	enzalutamide
Synonyms	4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide MDV 3100 MDV3100 MDV-3100 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide C21H16F4N4O2S XTANDI
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	enzalutamide
label	enzalutamide
DBSynonym	mdv3100
ATCCode	L02BB03
Definition	Enzalutamide is an androgen receptor inhibitor for the treatment of castration-resistant prostate cancer. FDA approved on August 31, 2012. A benzamide obtained by formal condensation of the carboxy group of 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluorobenzoic acid with methylamine. Used for the treatment of of metastatic castration-resistant prostate cancer.
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2839
induces	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901
inhibits	http://purl.obolibrary.org/obo/dinto_2839 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_1221 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_35497
InChIKey	InChIKey=WXCXUHSOUPDCQV-UHFFFAOYNA-N InChIKey=WXCXUHSOUPDCQV-UHFFFAOYSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1221
AHFScode	10:00
Synonym	4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide MDV 3100 MDV3100 MDV-3100 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide C21H16F4N4O2S XTANDI See more See less
xref	CiteXplore:22845410 CiteXplore:22101903 CiteXplore:21986558 CiteXplore:22229405 CiteXplore:22985411 CiteXplore:22113551 CiteXplore:22393799 Wikipedia:Enzalutamide RxList:http://www.rxlist.com/xtandi-drug.htm CiteXplore:22516457 CiteXplore:22956944 CiteXplore:22310230 Patent:WO2006124118 CiteXplore:22258374 CASRN:915087-33-1 CiteXplore:22815001 CiteXplore:22373838 CiteXplore:22987974 Drugs.com:http://www.drugs.com/cdi/enzalutamide.html CiteXplore:22266222 CiteXplore:22258371 CiteXplore:22894553 CiteXplore:22852027 Patent:US2007254933 CiteXplore:22472508 National Drug Code Directory:0469-0125-99 Wikipedia:http://en.wikipedia.org/wiki/Enzalutamide ChEBI:68534 ChEMBL:730886 CiteXplore:22429837 CiteXplore:22411952 CiteXplore:22710436 Patent:WO2011106570 Reaxys:11718700 CiteXplore:22162475 See more See less
CASRN	915087-33-1
prefixIRI	obo2:CHEBI_68534
is substrate of	http://purl.obolibrary.org/obo/dinto_0217
SMILES	CNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
InChI	InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) InChI=1/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
DBBrand	xtandi
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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