CHEMGRID MOLECULE CARD
1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine
1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine in ChemGrid: 24 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
LOPAC 00020
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- LOPAC 00020
- Molecular formula
- C16H16N4O5S
- InChIKey
- CDMZOKMMANFJMU-UHFFFAOYSA-N
- Libraries
- Lopac
- Other recorded names
- 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
Stored SMILES
CN1C(=O)N(CC=C)C(=O)c2n(C)c(nc12)c1ccc(cc1)S(O)(=O)=OMatched external records: PubChem 1365
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 |
|---|---|---|
| Trypsin | ChEMBL | No stored yeast mapping |
| ATXN2 · Ataxin-2 | ChEMBL | No stored yeast mapping |
| BLM · RecQ-like DNA helicase BLM | ChEMBL | SGS1 YMR190C (ortholog_one2one) |
| Chrm1 · Muscarinic acetylcholine receptor M1 | ChEMBL | No stored yeast mapping |
| EHMT2 · Histone-lysine N-methyltransferase EHMT2 | ChEMBL | SET2 YJL168C (ortholog_many2many) |
| MAPT · Microtubule-associated protein tau | ChEMBL | No stored yeast mapping |
| NS1 · Nonstructural protein 1 | ChEMBL | No stored yeast mapping |
| RCE1 · CAAX prenyl protease 2 | ChEMBL | RCE1 YMR274C (ortholog_one2one) |
| THRB · Thyroid hormone receptor beta | ChEMBL | No stored yeast mapping |
| Txnrd1 · Thioredoxin reductase 1, cytoplasmic | ChEMBL | TRR1 YDR353W (ortholog_many2many); TRR2 YHR106W (ortholog_many2many) |
| A2 | 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 1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine 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.