CT3

CHEBI:231816 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A 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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:17087 CHEBI:17087
CHEBI:18379 CHEBI:18379
CHEBI:24897 CHEBI:24897
CHEBI:26421 CHEBI:26421
CHEBI:35727 CHEBI:35727
CHEBI:37143 CHEBI:37143

Chemical structure

Computed structure properties
Molecular formula	C19H12F4N6O
Charge	0
Average mass	416.338 Da
Monoisotopic mass	416.10087 Da
Source	ChEBI
InChIKey	JDTWUDDOSHJEIZ-UHFFFAOYSA-N

SMILES

N#Cc1ncn(CC(=O)N2Cc3ccc(-c4cc(F)cnc4C(F)(F)F)cc3C2)n1

InChI

InChI=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

Also called

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 (EXACT_SYNONYM)— chebi
1-(2-{5-[5-fluoro-2-(trifluoromethyl)pyridin-3-yl]isoindolin-2-yl}-2-oxoethyl)-1H-1,2,4-triazole-3-carbonitrile (EXACT_SYNONYM)— chebi
1-[2-[5-[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]-1,3-dihydro-2H-isoindol-2-yl]-2-oxoethyl]-1H-1,2,4-triazole-3-carbonitrile (EXACT_SYNONYM)— chebi
CT 3 (EXACT_SYNONYM)— chebi
CT-3 (EXACT_SYNONYM)— chebi
compound CT3 (EXACT_SYNONYM)— chebi
cyanotriazole 3 (EXACT_SYNONYM)— chebi
topoisomerase II inhibitor 16 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:2403729-27-9
chemspider:128942099
reaxys:35502681

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:36335 CHEBI:36335

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:231816`	CT3	`antibioticmech:chebi-6f38640940`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.