CHEMGRID MOLECULE CARD
3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid [2-(toluene-4-sulfonylamino)-ethyl]-amide
3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid [2-(toluene-4-sulfonylamino)-ethyl]-amide in ChemGrid: 3 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
000A-0564
Explore activity & SONAR![Chemical structure of 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid [2-(toluene-4-sulfonylamino)-ethyl]-amide](/structure-thumbnails/ChemDiv-Kinase/00/000A-0564.svg?v=2026-09-22T13%3A54%3A31%2B00%3A00)
Identity and chemistry
- ChemGrid identifier
- 000A-0564
- Molecular formula
- C15H19N3O3S4
- InChIKey
- JPLSPRMSBDOXEW-UHFFFAOYSA-N
- Libraries
- ChemDiv-Kinase
Stored SMILES
CSc1snc(SC)c1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1Matched external records: PubChem 656372
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
3 measurements across 3 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 |
|---|---|---|
| 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) |
| ALOX12 · Polyunsaturated fatty acid lipoxygenase ALOX12 | ChEMBL | No stored yeast mapping |
| ALOX15 · Polyunsaturated fatty acid lipoxygenase ALOX15 | ChEMBL | No stored yeast mapping |
| ALOX15B · Polyunsaturated fatty acid lipoxygenase ALOX15B | ChEMBL | No stored yeast mapping |
| BAZ2B · Bromodomain adjacent to zinc finger domain protein 2B | ChEMBL | BDF2 YDL070W (ortholog_many2many); BDF1 YLR399C (ortholog_many2many) |
| EHMT2 · Histone-lysine N-methyltransferase EHMT2 | ChEMBL | SET2 YJL168C (ortholog_many2many) |
| ffp · 4'-phosphopantetheinyl transferase ffp | ChEMBL | No stored yeast mapping |
| GNAS · Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | ChEMBL | GPA2 YER020W (ortholog_many2many); GPA1 YHR005C (ortholog_many2many) |
| HPGD · 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | ChEMBL | AYR1 YIL124W (ortholog_one2one) |
| HSD17B10 · 3-hydroxyacyl-CoA dehydrogenase type-2 | ChEMBL | No stored yeast mapping |
| KAT2A · Histone acetyltransferase KAT2A | ChEMBL | BDF2 YDL070W (ortholog_many2many); BDF1 YLR399C (ortholog_many2many) |
| KDM4E · Lysine-specific demethylase 4E | ChEMBL | YJR119C (ortholog_one2many) |
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 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid [2-(toluene-4-sulfonylamino)-ethyl]-amide 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.