CHEMGRID MOLECULE CARD
Khellin
Khellin in ChemGrid: 3 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
Prest287
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- Prest287
- Molecular formula
- C14H12O5
- CAS registry number
- 82-02-0
- InChIKey
- HSMPDPBYAYSOBC-UHFFFAOYSA-N
- Libraries
- Prestwick
Stored SMILES
COc1c2occc2c(OC)c2C(=O)C=C(C)Oc12Matched external records: PubChem 3828
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 |
|---|---|---|
| ALDH1A1 · Aldehyde dehydrogenase 1A1 | ChEMBL | ALD5 YER073W (ortholog_many2many); ALD3 YMR169C (ortholog_many2many); ALD2 YMR170C (ortholog_many2many); ALD4 YOR374W (ortholog_many2many); ALD6 YPL061W (ortholog_many2many) |
| APEX1 · DNA repair nuclease/redox regulator APEX1 | ChEMBL | No stored yeast mapping |
| CYP1A1 · Cytochrome P450 1A1 | ChEMBL | No stored yeast mapping |
| CYP1A2 · Cytochrome P450 1A2 | ChEMBL | No stored yeast mapping |
| CYP3A4 · Cytochrome P450 3A4 | ChEMBL | No stored yeast mapping |
| GALC · Galactocerebrosidase | ChEMBL | No stored yeast mapping |
| GLP1R · Glucagon-like peptide 1 receptor | ChEMBL | No stored yeast mapping |
| KAT2A · Histone acetyltransferase KAT2A | ChEMBL | BDF2 YDL070W (ortholog_many2many); BDF1 YLR399C (ortholog_many2many) |
| PDE4A · 3',5'-cyclic-AMP phosphodiesterase 4A | ChEMBL | No stored yeast mapping |
| SMN1 · Survival motor neuron protein | 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) |
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 Khellin 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.