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.

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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