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.

Label unavailable CHEBI:17087
Label unavailable CHEBI:18379
Label unavailable CHEBI:24897
Label unavailable CHEBI:26421
Label unavailable CHEBI:35727
Label unavailable 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

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Activity roles

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

trypanocidal drug 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 (YAML).

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