CHEMGRID MOLECULE CARD
SEMUSTINE
SEMUSTINE in ChemGrid: 616 screened assays, 458 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE01503422
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE01503422
- Molecular formula
- C10ClH18N3O2
- CAS registry number
- 13909-09-6
- InChIKey
- FVLVBPDQNARYJU-UHFFFAOYSA-N
- Libraries
- Spectrum, SPECMTS3, SpectrumTMP, Spectrum_ED
- Other recorded names
- Semustine
Stored SMILES
CC1CCC(CC1)NC(=O)N(CCCl)N=OMatched external records: PubChem 5198
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
616 measurements across 616 distinct library–species–strain assays; 458 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.
| Strain | Library | Species identifier | Z-score |
|---|---|---|---|
| wNif21 | SpectrumTMP | 4932 | -48.47 |
| pom152 | SPECMTS3 | 4932 | -47.93 |
| bbrASA18 | SpectrumTMP | 4932 | -46.30 |
| lat1 | SPECMTS3 | 4932 | -44.93 |
| vid30 | SPECMTS3 | 4932 | -44.60 |
| gim4 | SPECMTS3 | 4932 | -43.12 |
| bbr4ATP18 | SpectrumTMP | 4932 | -43.00 |
| wCLE21 | SpectrumTMP | 4932 | -42.06 |
| abp1 | SPECMTS3 | 4932 | -41.79 |
| BBR_HET_tri_24h | SpectrumTMP | 4932 | -41.07 |
| BY4741 | SPECMTS3 | 4932 | -40.80 |
| bbrCED18 | SpectrumTMP | 4932 | -40.73 |
Spectrum compound-combination identifiers are excluded from this short table. The interactive profile retains the full measurements.
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 |
|---|---|---|
| Luciferin 4-monooxygenase | ChEMBL | No stored yeast mapping |
| ADRA2A · Alpha-2A adrenergic receptor | ChEMBL | No stored yeast mapping |
| ALDH1A1 · Aldehyde dehydrogenase 1A1 | ChEMBL | ALD5 YER073W (ortholog_many2many); ALD3 YMR169C (ortholog_many2many); ALD2 YMR170C (ortholog_many2many); ALD4 YOR374W (ortholog_many2many); ALD6 YPL061W (ortholog_many2many) |
| BRCA1 · Breast cancer type 1 susceptibility protein | ChEMBL | No stored yeast mapping |
| Pmp22 · Peripheral myelin protein 22 | ChEMBL | No stored yeast mapping |
| POLH · DNA polymerase eta | ChEMBL | RAD30 YDR419W (ortholog_one2one) |
| rep · Replicase polyprotein 1ab | ChEMBL | No stored yeast mapping |
| SAMHD1 · Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | ChEMBL | No stored yeast mapping |
| SMN1 · Survival motor neuron protein | ChEMBL | No stored yeast mapping |
| TDP1 · Tyrosyl-DNA phosphodiesterase 1 | ChEMBL | TDP1 YBR223C (ortholog_one2one) |
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 SEMUSTINE 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.