CHEMGRID MOLECULE CARD
Ketoconazole
Ketoconazole in ChemGrid: 3 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
Prest744
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- Prest744
- Molecular formula
- C26Cl2H28N4O4
- CAS registry number
- 65277-42-1
- InChIKey
- XMAYWYJOQHXEEK-UHFFFAOYSA-N
- Libraries
- Prestwick
- Other recorded names
- 1-(4-(4-((2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethanone
Stored SMILES
CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1Matched external records: PubChem 3823
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 |
|---|---|---|
| CYP17A1 · Steroid 17-alpha-hydroxylase/17,20 lyase | ChEMBL | No stored yeast mapping |
| CYP24A1 · 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | ChEMBL | No stored yeast mapping |
| CYP3A4 · Cytochrome P450 3A4 | ChEMBL | No stored yeast mapping |
| CYP51A1 · Lanosterol 14-alpha demethylase | ChEMBL | ERG11 YHR007C (ortholog_one2one) |
| Gnrhr · Gonadotropin-releasing hormone receptor | ChEMBL | No stored yeast mapping |
| LMNA · Prelamin-A/C | ChEMBL | No stored yeast mapping |
| CYP17A1 · Steroid 17-alpha-hydroxylase/17,20 lyase | ChEMBL analogue | No stored yeast mapping |
| CYP24A1 · 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | ChEMBL analogue | No stored yeast mapping |
| CYP3A4 · Cytochrome P450 3A4 | ChEMBL analogue | No stored yeast mapping |
| CYP51A1 · Lanosterol 14-alpha demethylase | ChEMBL analogue | ERG11 YHR007C (ortholog_one2one) |
| Gnrhr · Gonadotropin-releasing hormone receptor | ChEMBL analogue | No stored yeast mapping |
| LMNA · Prelamin-A/C | ChEMBL analogue | 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 Ketoconazole 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.