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CHEBI:231816 - CT3

ChEBI IDCHEBI:231816
ChEBI NameCT3
Stars
DefinitionA member of the class of isoindoles that is 2,3-dihydro-1H-isoindole substituted by (3-cyano-1H-1,2,4-triazol-1-yl)acetyl and 5-fluoro-2-(trifluoromethyl)pyridin-3-yl groups at positions 2 and 5, respectively. It inhibits Trypanosoma cruzi topoisomerase II and eradicates Trypanosoma cruzi in a mouse model of Chagas disease.
Last Modified15 August 2024
SubmitterAdnan
DownloadsMolfile
FormulaC19H12F4N6O
Net Charge0
Average Mass416.338
Monoisotopic Mass416.10087
SMILESN#Cc1ncn(CC(=O)N2Cc3ccc(-c4cc(F)cnc4C(F)(F)F)cc3C2)n1
InChIInChI=1S/C19H12F4N6O/c20-14-4-15(18(25-6-14)19(21,22)23)11-1-2-12-7-28(8-13(12)3-11)17(30)9-29-10-26-16(5-24)27-29/h1-4,6,10H,7-9H2
InChIKeyJDTWUDDOSHJEIZ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
topoisomerase II inhibitor  A topoisomerase inhibitor that inhibits DNA topoisomerase II.
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
Application:
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
ChEBI Ontology
Outgoing Relation(s)
CT3 (CHEBI:231816) has role topoisomerase II inhibitor (CHEBI:156203)
CT3 (CHEBI:231816) has role trypanocidal drug (CHEBI:36335)
CT3 (CHEBI:231816) is a isoindoles (CHEBI:24897)
CT3 (CHEBI:231816) is a ketone (CHEBI:17087)
CT3 (CHEBI:231816) is a nitrile (CHEBI:18379)
CT3 (CHEBI:231816) is a organofluorine compound (CHEBI:37143)
CT3 (CHEBI:231816) is a pyridines (CHEBI:26421)
CT3 (CHEBI:231816) is a triazoles (CHEBI:35727)
IUPAC Name 
1-(2-{5-[5-fluoro-2-(trifluoromethyl)pyridin-3-yl]-1,3-dihydro-2H-isoindol-2-yl}-2-oxoethyl)-1H-1,2,4-triazole-3-carbonitrile
Synonyms  Source
1-[2-[5-[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]-1,3-dihydro-2H-isoindol-2-yl]-2-oxoethyl]-1H-1,2,4-triazole-3-carbonitrileChEBI
CT-3ChEBI
CT 3ChEBI
cyanotriazole 3ChEBI
1-(2-{5-[5-fluoro-2-(trifluoromethyl)pyridin-3-yl]isoindolin-2-yl}-2-oxoethyl)-1H-1,2,4-triazole-3-carbonitrileChEBI
topoisomerase II inhibitor 16ChEBI
Manual XrefsDatabases
128942099ChemSpider
Registry NumbersSources
Reaxys:35502681Reaxys
CAS:2403729-27-9ChEBI
Citations