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 | ||
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 | ||
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 |
|
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 |