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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_68534
http://purl.obolibrary.org/obo/CHEBI_68534
|
|---|---|
| Preferred Name | enzalutamide |
| 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.
|
| Synonyms |
MDV 3100
MDV3100
MDV-3100
XTANDI
4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| 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. |
|---|---|
| label |
enzalutamide
|
| prefLabel |
enzalutamide
|
| 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
See more
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|
| notation |
CHEBI:68534
|
| in_subset | |
| 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)
|
| has_related_synonym |
MDV 3100
MDV3100
MDV-3100
XTANDI
|
| id |
CHEBI:68534
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C21H16F4N4O2S
|
| subClassOf | |
| inchikey |
WXCXUHSOUPDCQV-UHFFFAOYSA-N
|
| mass |
464.43600
|
| monoisotopicmass |
464.09301
|
| type | |
| smiles |
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
|
| has role | |
| has_exact_synonym |
4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide
|
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