CHEMGRID MOLECULE CARD

5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-amine

5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-amine in ChemGrid: 50 screened assays, 1 with significant responses. Explore chemical identifiers, strain activity and target evidence.

SPB 00887

Explore activity & SONAR

Chemical structure of 5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-amine — Stored molecular structure

50Screened assays

1Significant assay responses

1Source-labelled target records

Identity and chemistry

ChemGrid identifier: SPB 00887
Molecular formula: C9F3H6N5O2S
Libraries: Maybridge1000
Other recorded names: 5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-1,2,4-triazol-3-amine

Stored SMILES

[O-][N+](=O)c1cc(ccc1Sc1nnc(N)n1)C(F)(F)F

Matched external records: PubChem 3806117

Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.

Measured chemical–genetic activity

50 measurements across 50 distinct library–species–strain assays; 1 assays have at least one significant response (|Z| ≥ 4, p ≤ 0.001, excluding flagged outliers).

Responses are indirect screening phenotypes. They do not establish that a strain gene is a direct molecular target. Strains and timepoints are retained as recorded; these counts are not counts of unique ORFs.

Up to 12 strongest recorded single-strain responses by absolute Z-score
Strain	Library	Species identifier	Z-score
cin2	Maybridge1000	4932	-5.59

Spectrum compound-combination identifiers are excluded from this short table. The interactive profile retains the full measurements.

Recorded target evidence and yeast matches

Source annotations are shown separately from SONAR hypotheses. Evidence type and identity matching can vary; consult the linked source and interactive evidence panel.

Target	Source	Yeast ORF / orthologue
AKR1B1 · Aldo-keto reductase family 1 member B1	ChEMBL	AAD3 YCR107W (ortholog_many2many); AAD4 YDL243C (ortholog_many2many); YPR1 YDR368W (ortholog_many2many); AAD10 YJR155W (ortholog_many2many); AAD14 YNL331C (ortholog_many2many); AAD15 YOL165C (ortholog_many2many); GCY1 YOR120W (ortholog_many2many)

Structural activity predictions and SONAR

Stored structural activity predictions are available in the interactive profile, with assay-specific cutoffs and applicability-domain assessments.

SONAR ranks candidate targets through genetic and physical interaction evidence. Structural SONAR uses predicted strain responses; measured SONAR uses experimental responses. These are experimental hypotheses, not confirmed binding targets. Outside-domain predictions are treated as unknown.

Open the complete 5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-amine research profile →

Sources and provenance

Screening measurements: ChemGrid chemical-genetic datasets. Wildenhain et al., Cell Systems (2015). Target annotations: sources named in the evidence table. Structure and library metadata: stored ChemGrid catalogue records.

Card snapshot: 2026-11-02. Linked interactive views may contain newer data.