CHEMGRID MOLECULE CARD
Caffeine
Caffeine in ChemGrid: 24 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
LOPAC 00008
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- LOPAC 00008
- Molecular formula
- C8H10N4O2
- InChIKey
- RYYVLZVUVIJVGH-UHFFFAOYSA-N
- Libraries
- Lopac
Stored SMILES
Cn1cnc2N(C)C(=O)N(C)C(=O)c12Matched external records: PubChem 2519
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 |
|---|---|---|
| ACHE · Acetylcholinesterase | ChEMBL | No stored yeast mapping |
| ADORA2A · Adenosine receptor A2a | ChEMBL | No stored yeast mapping |
| CBX1 · Chromobox protein homolog 1 | ChEMBL | No stored yeast mapping |
| Chrm1 · Muscarinic acetylcholine receptor M1 | ChEMBL | No stored yeast mapping |
| CNR1 · Cannabinoid receptor 1 | ChEMBL | No stored yeast mapping |
| EHMT2 · Histone-lysine N-methyltransferase EHMT2 | ChEMBL | SET2 YJL168C (ortholog_many2many) |
| GMNN · Geminin | ChEMBL | No stored yeast mapping |
| lef · Lethal factor | ChEMBL | No stored yeast mapping |
| POLK · DNA polymerase kappa | ChEMBL | TRF5 YNL299W (ortholog_many2many); PAP2 YOL115W (ortholog_many2many) |
| SIRT3 · NAD-dependent protein deacetylase sirtuin-3, mitochondrial | ChEMBL | No stored yeast mapping |
| ACHE · Acetylcholinesterase | ChEMBL analogue | No stored yeast mapping |
| Adora1 · Adenosine receptor A1 | ChEMBL analogue | No stored yeast mapping |
| ADORA2A · Adenosine receptor A2a | ChEMBL analogue | No stored yeast mapping |
| Adora2b · Adenosine A2 receptor | ChEMBL analogue | No stored yeast mapping |
| ARSA · Arylsulfatase A | ChEMBL analogue | No stored yeast mapping |
| BLM · RecQ-like DNA helicase BLM | ChEMBL analogue | SGS1 YMR190C (ortholog_one2one) |
| CBX1 · Chromobox protein homolog 1 | ChEMBL analogue | No stored yeast mapping |
| Chrm1 · Muscarinic acetylcholine receptor M1 | ChEMBL analogue | No stored yeast mapping |
| CNR1 · Cannabinoid receptor 1 | ChEMBL analogue | No stored yeast mapping |
| EHMT2 · Histone-lysine N-methyltransferase EHMT2 | ChEMBL analogue | SET2 YJL168C (ortholog_many2many) |
| GMNN · Geminin | ChEMBL analogue | No stored yeast mapping |
| lef · Lethal factor | ChEMBL analogue | No stored yeast mapping |
| LMNA · Prelamin-A/C | ChEMBL analogue | No stored yeast mapping |
| MAPK1 · Mitogen-activated protein kinase 1 | ChEMBL analogue | SLT2 YHR030C (ortholog_many2many); YKL161C (ortholog_many2many) |
| MAPT · Microtubule-associated protein tau | ChEMBL analogue | No stored yeast mapping |
| nfo · Endonuclease 4 | ChEMBL analogue | No stored yeast mapping |
| pfk · ATP-dependent 6-phosphofructokinase | ChEMBL analogue | No stored yeast mapping |
| PIN1 · Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | ChEMBL analogue | ESS1 YJR017C (ortholog_one2one) |
| PMP22 · Peripheral myelin protein 22 | ChEMBL analogue | No stored yeast mapping |
| POLK · DNA polymerase kappa | ChEMBL analogue | TRF5 YNL299W (ortholog_many2many); PAP2 YOL115W (ortholog_many2many) |
First 30 of 35 target records; open the interactive profile for further evidence.
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 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.