CHEMGRID MOLECULE CARD
Xanthine amine congener
Xanthine amine congener in ChemGrid: 24 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
LOPAC 00080
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- LOPAC 00080
- Molecular formula
- C21H28N6O4
- Libraries
- Lopac
Stored SMILES
CCCN1C(=O)N(CCC)c2nc(nc2C1=O)c1ccc(OCC(=O)NCCN)cc1Matched external records: PubChem 5697
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 |
|---|---|---|
| Adenosine A2 receptor [CHEMBL2094117] | ChEMBL | No stored yeast mapping |
| Adenosine A2 receptor [CHEMBL2094257] | ChEMBL | No stored yeast mapping |
| ADORA1 · Adenosine receptor A1 [CHEMBL226] | ChEMBL | No stored yeast mapping |
| ADORA1 · Adenosine receptor A1 [CHEMBL2304404] | ChEMBL | No stored yeast mapping |
| Adora1 · Adenosine receptor A1 [CHEMBL318] | ChEMBL | No stored yeast mapping |
| ADORA1 · Adenosine receptor A1 [CHEMBL4975] | ChEMBL | No stored yeast mapping |
| ADORA2A · Adenosine receptor A2a [CHEMBL251] | ChEMBL | No stored yeast mapping |
| Adora2a · Adenosine receptor A2a [CHEMBL302] | ChEMBL | No stored yeast mapping |
| ADORA2B · Adenosine receptor A2b | ChEMBL | No stored yeast mapping |
| ADORA3 · Adenosine receptor A3 [CHEMBL256] | ChEMBL | No stored yeast mapping |
| Adora3 · Adenosine receptor A3 [CHEMBL3360] | ChEMBL | No stored yeast mapping |
| CYP3A4 · Cytochrome P450 3A4 | ChEMBL | No stored yeast mapping |
| A1 | 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 Xanthine amine congener 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.