CHEMGRID MOLECULE CARD
S-Methylisothiourea hemisulfate
S-Methylisothiourea hemisulfate in ChemGrid: 24 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
LOPAC 00449
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- LOPAC 00449
- Molecular formula
- C4H14N4O4S3
- InChIKey
- BZZXQZOBAUXLHZ-UHFFFAOYSA-N
- Libraries
- Lopac
- Other recorded names
- Bis(S-methylisothiouronium) sulfate
Stored SMILES
CSC(N)=N.CSC(N)=N.OS(O)(=O)=OMatched external records: PubChem 13347
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 |
|---|---|---|
| BLM · RecQ-like DNA helicase BLM | ChEMBL | SGS1 YMR190C (ortholog_one2one) |
| CYP1A2 · Cytochrome P450 1A2 | ChEMBL | No stored yeast mapping |
| CYP2C19 · Cytochrome P450 2C19 | ChEMBL | DIT2 YDR402C (ortholog_one2many) |
| CYP2D6 · Cytochrome P450 2D6 | ChEMBL | No stored yeast mapping |
| KDM4E · Lysine-specific demethylase 4E | ChEMBL | YJR119C (ortholog_one2many) |
| NPSR1 · Neuropeptide S receptor | ChEMBL | No stored yeast mapping |
| iNOS | 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 S-Methylisothiourea hemisulfate 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.