CHEMGRID MOLECULE CARD
8-(3-Chlorostyryl)caffeine
8-(3-Chlorostyryl)caffeine in ChemGrid: 24 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
LOPAC 00033
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- LOPAC 00033
- Molecular formula
- C16ClH15N4O2
- InChIKey
- WBWFIUAVMCNYPG-UHFFFAOYSA-N
- Libraries
- Lopac
- Other recorded names
- 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Stored SMILES
CN1C(=O)N(C)c2nc(C=Cc3cccc(Cl)c3)n(C)c2C1=OMatched external records: PubChem 1902
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
24 measurements across 24 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 |
|---|---|---|
| A2A | ChemGrid bioactivity_info | 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 8-(3-Chlorostyryl)caffeine 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.