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The Drug Ontology
Last uploaded:
November 15, 2024
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| Preferred Name | enzalutamide | |
| Synonyms |
MDV 3100 MDV-3100 MDV3100 XTANDI 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide |
|
| 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 |
|
| alternative label |
MDV 3100 MDV-3100 MDV3100 XTANDI 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide
|
|
| charge |
0
|
|
| database_cross_reference |
PMID:22987974 Patent:WO2011106570 PMID:21986558 PMID:22266222 PMID:22310230 PMID:22845410 PMID:22815001 PMID:22956944 PMID:22710436 PMID:22411952 PMID:22162475 PMID:22516457 PMID:22258374 PMID:22258371 PMID:22985411 Patent:US2007254933 Drug_Central:4628 Patent:WO2006124118 Wikipedia:Enzalutamide PMID:22229405 PMID:22373838 LINCS:LSM-6254 PMID:22472508 PMID:22101903 Reaxys:11718700 PMID:22113551 PMID:22393799 PMID:22429837 PMID:22852027 PMID:22894553 CAS:915087-33-1
|
|
| 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 MDV-3100 MDV3100 XTANDI
|
|
| has_RxCUI |
1307298
|
|
| 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
|
|
| 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 |
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