CHEBI:68534 - enzalutamide

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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 0
Average Mass 464.43600
Monoisotopic Mass 464.093
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.
View more via ChEBI Ontology
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
Synonyms Sources
MDV 3100 ChemIDplus
MDV-3100 ChemIDplus
MDV3100 ChemIDplus
Brand Name Source
XTANDI ChemIDplus
Manual Xrefs Databases
4628 DrugCentral
Enzalutamide Wikipedia
LSM-6254 LINCS
US2007254933 Patent
WO2006124118 Patent
WO2011106570 Patent
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Registry Numbers Types Sources
11718700 Reaxys Registry Number Reaxys
915087-33-1 CAS Registry Number ChemIDplus
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Last Modified
22 February 2017