CHEMGRID MOLECULE CARD
2-{[1-(3,5-dimethylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]thio}benzoic acid
2-{[1-(3,5-dimethylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]thio}benzoic acid in ChemGrid: 50 screened assays, 28 with significant responses. Explore chemical identifiers, strain activity and target evidence.
PD 00829
Explore activity & SONAR![Chemical structure of 2-{[1-(3,5-dimethylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]thio}benzoic acid](/structure-thumbnails/Maybridge1000/PD/PD_00829.svg?v=2026-09-22T13%3A54%3A31%2B00%3A00)
Identity and chemistry
- ChemGrid identifier
- PD 00829
- Molecular formula
- C19H17NO4S
- InChIKey
- MVPYRNAORCHANT-UHFFFAOYSA-N
- Libraries
- Maybridge1000
Stored SMILES
Cc1cc(C)cc(c1)N1C(=O)CC(Sc2ccccc2C(O)=O)C1=OMatched external records: PubChem 2826435
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; 28 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.
| Strain | Library | Species identifier | Z-score |
|---|---|---|---|
| cin2 | Maybridge1000 | 4932 | -39.87 |
| WT-Fen | Maybridge1000 | 4932 | -35.34 |
| Alg12 | Maybridge1000 | 4932 | -32.53 |
| WT-Ciclosporin | Maybridge1000 | 4932 | -30.29 |
| WT-CAMP | Maybridge1000 | 4932 | -27.33 |
| cin2-2nd | Maybridge1000 | 4932 | -26.02 |
| But24 | Maybridge1000 | 4932 | -21.06 |
| ypt6 | Maybridge1000 | 4932 | -19.22 |
| ric1 | Maybridge1000 | 4932 | -17.19 |
| MT2481-cyclosporine | Maybridge1000 | 4932 | -13.40 |
| MT2481-pdr1pdr3 | Maybridge1000 | 4932 | -13.06 |
| CNB1 | Maybridge1000 | 4932 | -12.99 |
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 |
|---|---|---|
| APEX1 · DNA repair nuclease/redox regulator APEX1 | ChEMBL | No stored yeast mapping |
| MAPT · Microtubule-associated protein tau | ChEMBL | No stored yeast mapping |
| NS1 · Nonstructural protein 1 | ChEMBL | No stored yeast mapping |
| PABPC1 · Polyadenylate-binding protein 1 | ChEMBL | No stored yeast mapping |
| POLI · DNA polymerase iota | ChEMBL | No stored yeast mapping |
| Rorc · Nuclear receptor ROR-gamma | ChEMBL | No stored yeast mapping |
| SNCA · Alpha-synuclein | ChEMBL | No stored yeast mapping |
| TARDBP · TAR DNA-binding protein 43 | ChEMBL | PIN4 YBL051C (ortholog_many2many) |
| TDP1 · Tyrosyl-DNA phosphodiesterase 1 | ChEMBL | TDP1 YBR223C (ortholog_one2one) |
| TGR · Thioredoxin glutathione reductase | ChEMBL | TRR1 YDR353W (ortholog_many2many); TRR2 YHR106W (ortholog_many2many) |
| vpr · Aberrant vpr protein | ChEMBL | No stored yeast mapping |
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 2-{[1-(3,5-dimethylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]thio}benzoic acid 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.