CHEMGRID MOLECULE CARD
Purvalanol A
Purvalanol A in ChemGrid: 24 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
LOPAC 01136
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- LOPAC 01136
- Molecular formula
- C19ClH25N6O
- InChIKey
- PMXCMJLOPOFPBT-UHFFFAOYSA-N
- Libraries
- Lopac
- Other recorded names
- 2-[[6-(3-Chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
Stored SMILES
CC(C)C(CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1Matched external records: PubChem 4987
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 |
|---|---|---|
| AKR1C3 · Aldo-keto reductase family 1 member C3 | ChEMBL | AAD3 YCR107W (ortholog_many2many); YDL124W (ortholog_many2many); AAD4 YDL243C (ortholog_many2many); YPR1 YDR368W (ortholog_many2many); AAD10 YJR155W (ortholog_many2many); YMR041C (ortholog_many2many); AAD14 YNL331C (ortholog_many2many); AAD15 YOL165C (ortholog_many2many); GCY1 YOR120W (ortholog_many2many) |
| CDK2 · Cyclin-dependent kinase 2/cyclin A | ChEMBL | No stored yeast mapping |
| AKR1C3 · Aldo-keto reductase family 1 member C3 | ChEMBL analogue | AAD3 YCR107W (ortholog_many2many); YDL124W (ortholog_many2many); AAD4 YDL243C (ortholog_many2many); YPR1 YDR368W (ortholog_many2many); AAD10 YJR155W (ortholog_many2many); YMR041C (ortholog_many2many); AAD14 YNL331C (ortholog_many2many); AAD15 YOL165C (ortholog_many2many); GCY1 YOR120W (ortholog_many2many) |
| CDK2 · Cyclin-dependent kinase 2/cyclin A | ChEMBL analogue | No stored yeast mapping |
| CDK | 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 Purvalanol A 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.