enzalutamide (CHEBI:68534)

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ChEBI Name	enzalutamide

ChEBI ID	CHEBI:68534

Definition	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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	eMolecules:979405

Download	Molfile XML SDF

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Wikipedia	License
Indole-3-carbinol (I3C, C9H9N O) is produced by the breakdown of the glucosinolate glucobrassicin, which can be found at relatively high levels in cruciferous vegetables such as broccoli, cabbage, cauliflower, brussels sprouts, collard greens and kale. It is also available in dietary supplements. Indole-3-carbinol is the subject of on-going biomedical research into its possible anticarcinogenic, antioxidant, and anti-atherogenic effects. Research on indole-3-carbinol has been conducted primarily using laboratory animals and cultured cells. Limited and inconclusive human studies have been reported. A recent review of the biomedical research literature found that "evidence of an inverse association between cruciferous vegetable intake and breast or prostate cancer in humans is limited and inconsistent" and "larger randomized controlled trials are needed" to determine if supplemental indole-3-carbinol has health benefits.
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Formula

C21H16F4N4O2S

Net Charge

Average Mass

464.43600

Monoisotopic Mass

464.09301

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)

InChIKey

WXCXUHSOUPDCQV-UHFFFAOYSA-N

SMILES

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

Roles Classification
Biological Role(s):	androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens.

ChEBI Ontology
Outgoing	enzalutamide (CHEBI:68534) has role androgen antagonist (CHEBI:35497) enzalutamide (CHEBI:68534) has role antineoplastic agent (CHEBI:35610) enzalutamide (CHEBI:68534) is a (trifluoromethyl)benzenes (CHEBI:83565) enzalutamide (CHEBI:68534) is a benzamides (CHEBI:22702) enzalutamide (CHEBI:68534) is a imidazolidinone (CHEBI:55370) enzalutamide (CHEBI:68534) is a monofluorobenzenes (CHEBI:83575) enzalutamide (CHEBI:68534) is a nitrile (CHEBI:18379) enzalutamide (CHEBI:68534) is a thiocarbonyl compound (CHEBI:50492)

IUPAC Name

4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide

Brand Name	Source
XTANDI	ChemIDplus

Last Modified

22 February 2017