CHEMGRID MOLECULE CARD
Trigonelline
Trigonelline in ChemGrid: 3 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
Prest462
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- Prest462
- Molecular formula
- C7H7NO2
- CAS registry number
- 535-83-1
- InChIKey
- WWNNZCOKKKDOPX-UHFFFAOYSA-N
- Libraries
- Prestwick
Stored SMILES
[O-]C(=O)c1ccc[n+](C)c1Matched external records: PubChem 5570
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
3 measurements across 3 distinct library–species–strain assays; 0 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.
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 |
|---|---|---|
| ACHE · Acetylcholinesterase | ChEMBL | No stored yeast mapping |
| ampC · Beta-lactamase | ChEMBL | No stored yeast mapping |
| CBX1 · Chromobox protein homolog 1 | ChEMBL | No stored yeast mapping |
| fba · Fructose-bisphosphate aldolase | ChEMBL | SMI1 YGR229C (ortholog_one2many) |
| GABRB1 · GABA-A receptor alpha-1/beta-1 | ChEMBL | No stored yeast mapping |
| HDAC6 · Protein deacetylase HDAC6 | ChEMBL | HDA1 YNL021W (ortholog_one2one) |
| IDH1 · Isocitrate dehydrogenase [NADP] cytoplasmic | ChEMBL | IDP1 YDL066W (ortholog_many2many); IDP2 YLR174W (ortholog_many2many); IDP3 YNL009W (ortholog_many2many) |
| USP2 · Ubiquitin carboxyl-terminal hydrolase 2 | ChEMBL | UBP13 YBL067C (ortholog_many2many); UBP9 YER098W (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 Trigonelline 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.