CHEMGRID MOLECULE CARD
Doxepin hydrochloride
Doxepin hydrochloride in ChemGrid: 3 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
Prest187
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- Prest187
- Molecular formula
- C19ClH22NO
- CAS registry number
- 1229-29-4
- InChIKey
- MHNSPTUQQIYJOT-UHFFFAOYSA-N
- Libraries
- Prestwick
- Other recorded names
- 1-Propanamine, 3-(dibenz[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-, hydrochloride (1:1)
Stored SMILES
Cl.CN(C)CCC=C1c2ccccc2COc2ccccc21Matched external records: PubChem 14675
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 |
|---|---|---|
| EHMT2 · Histone-lysine N-methyltransferase EHMT2 | ChEMBL | SET2 YJL168C (ortholog_many2many) |
| HDAC6 · Protein deacetylase HDAC6 | ChEMBL | HDA1 YNL021W (ortholog_one2one) |
| Impa1 · Inositol monophosphatase 1 | ChEMBL | No stored yeast mapping |
| rep · Replicase polyprotein 1ab | ChEMBL | No stored yeast mapping |
| Rorc · Nuclear receptor ROR-gamma | ChEMBL | No stored yeast mapping |
| TDP1 · Tyrosyl-DNA phosphodiesterase 1 | ChEMBL | TDP1 YBR223C (ortholog_one2one) |
| TGR · Thioredoxin glutathione reductase | ChEMBL | TRR1 YDR353W (ortholog_many2many); TRR2 YHR106W (ortholog_many2many) |
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 Doxepin hydrochloride 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.