CHEMGRID MOLECULE CARD
Ketoconazole
Ketoconazole in ChemGrid: 24 screened assays, 24 with significant responses. Explore chemical identifiers, strain activity and target evidence.
LOPAC 00608
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- LOPAC 00608
- Molecular formula
- C26Cl2H28N4O4
- InChIKey
- XMAYWYJOQHXEEK-UHFFFAOYSA-N
- Libraries
- Lopac
- 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
24 measurements across 24 distinct library–species–strain assays; 24 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 |
|---|---|---|---|
| CIN2 | Lopac | 4932 | -70.43 |
| MRC1 | Lopac | 4932 | -68.58 |
| NUM1 | Lopac | 4932 | -57.20 |
| MT2481-pdr1pdr3 | Lopac | 4932 | -45.70 |
| GAS1 | Lopac | 4932 | -44.27 |
| HOC1 | Lopac | 4932 | -41.79 |
| SQS1 | Lopac | 4932 | -41.08 |
| NOP13 | Lopac | 4932 | -40.95 |
| NOP16 | Lopac | 4932 | -40.31 |
| Pac10 | Lopac | 4932 | -39.15 |
| KRE1 | Lopac | 4932 | -38.74 |
| dep1 | Lopac | 4932 | -37.33 |
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 |
|---|---|---|
| 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 |
| Cytochrome P450c17 | 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 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.