Preferred Name

enzalutamide

Synonyms

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

MDV 3100

MDV3100

MDV-3100

XTANDI

Definitions

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.

ID

http://purl.obolibrary.org/obo/CHEBI_68534

charge

0

database_cross_reference

PMID:22987974

PMID:22310230

PMID:22894553

PMID:22266222

PMID:22258371

Wikipedia:Enzalutamide

PMID:22101903

PMID:22516457

PMID:22956944

PMID:22162475

Patent:WO2006124118

LINCS:LSM-6254

PMID:21986558

PMID:22393799

Drug_Central:4628

PMID:22845410

PMID:22373838

CAS:915087-33-1

PMID:22710436

PMID:22985411

PMID:22258374

PMID:22815001

Patent:US2007254933

PMID:22429837

PMID:22113551

Patent:WO2011106570

PMID:22472508

Reaxys:11718700

PMID:22229405

PMID:22852027

PMID:22411952

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.

formula

C21H16F4N4O2S

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_35497

has_exact_synonym

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

has_obo_namespace

chebi_ontology

has_related_synonym

MDV 3100

MDV3100

MDV-3100

XTANDI

id

CHEBI:68534

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

label

enzalutamide

mass

464.43600

monoisotopicmass

464.09301

notation

CHEBI:68534

prefLabel

enzalutamide

smiles

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

treeView

http://purl.obolibrary.org/obo/CHEBI_50492

http://purl.obolibrary.org/obo/CHEBI_22702

http://purl.obolibrary.org/obo/CHEBI_83565

http://purl.obolibrary.org/obo/CHEBI_18379

http://purl.obolibrary.org/obo/CHEBI_83575

http://purl.obolibrary.org/obo/CHEBI_55370

subClassOf

http://purl.obolibrary.org/obo/CHEBI_50492

http://purl.obolibrary.org/obo/CHEBI_22702

http://purl.obolibrary.org/obo/CHEBI_83565

http://purl.obolibrary.org/obo/CHEBI_18379

http://purl.obolibrary.org/obo/CHEBI_83575

http://purl.obolibrary.org/obo/CHEBI_55370

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_68534 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68534 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68534 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68534 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68534 GSSO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68534 DRON SAME_URI
http://purl.bioontology.org/ontology/NDDF/014630 NDDF LOOM
http://purl.obolibrary.org/obo/CHEBI_68534 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_68534 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_68534 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_68534 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_68534 GSSO LOOM
http://purl.obolibrary.org/obo/CHEBI_68534 DRON LOOM
http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#Enzalutamide_hormonal_drug PCAO LOOM
http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#Enzalutamide_drug PCAO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/703125003 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000560774 PDQ LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C71744 NCIT LOOM
http://purl.bioontology.org/ontology/VANDF/4031716 VANDF LOOM
http://purl.obolibrary.org/obo/NCIT_C71744 BERO LOOM
https://go.drugbank.com/drugs/DB08899 MDM LOOM
http://www.drugbank.ca/drugs/DB08899 FTC LOOM
http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#Enzalutamide PCAO LOOM
http://purl.bioontology.org/ontology/RXNORM/1307298 RXNORM LOOM
http://purl.bioontology.org/ontology/MESH/C540278 MESH LOOM
http://purl.bioontology.org/ontology/ATC/L02BB04 ATC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026181 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000185726 NDFRT LOOM
http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#enzalutamide PCAO LOOM