CHEMGRID MOLECULE CARD
Dimethadione
Dimethadione in ChemGrid: 3 screened assays, 2 with significant responses. Explore chemical identifiers, strain activity and target evidence.
Prest55
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- Prest55
- Molecular formula
- C5H7NO3
- CAS registry number
- 695-53-4
- InChIKey
- JYJFNDQBESEHJQ-UHFFFAOYSA-N
- Libraries
- Prestwick
Stored SMILES
CC1(C)OC(=O)NC1=OMatched external records: PubChem 3081
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; 2 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 |
|---|---|---|---|
| TMPPre001 | Prestwick | 9606 | 4.43 |
| TMPPre002 | Prestwick | 9606 | 4.43 |
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 |
|---|---|---|
| CA2 · Carbonic anhydrase 2 | ChEMBL | No stored yeast mapping |
| HDAC6 · Protein deacetylase HDAC6 | ChEMBL | HDA1 YNL021W (ortholog_one2one) |
| rep · Replicase polyprotein 1ab | ChEMBL | No stored yeast mapping |
| SAMHD1 · Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | ChEMBL | No stored yeast mapping |
| USP1 · Ubiquitin carboxyl-terminal hydrolase 1 | ChEMBL | UBP13 YBL067C (ortholog_many2many); UBP9 YER098W (ortholog_many2many); UBP8 YMR223W (ortholog_many2many); UBP2 YOR124C (ortholog_many2many) |
| CA2 · Carbonic anhydrase 2 | ChEMBL analogue | No stored yeast mapping |
| HDAC6 · Protein deacetylase HDAC6 | ChEMBL analogue | HDA1 YNL021W (ortholog_one2one) |
| rep · Replicase polyprotein 1ab | ChEMBL analogue | No stored yeast mapping |
| SAMHD1 · Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | ChEMBL analogue | No stored yeast mapping |
| USP1 · Ubiquitin carboxyl-terminal hydrolase 1 | ChEMBL analogue | UBP13 YBL067C (ortholog_many2many); UBP9 YER098W (ortholog_many2many); UBP8 YMR223W (ortholog_many2many); UBP2 YOR124C (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 Dimethadione 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.