Compound Detail
CHEMBL270271
ETACONAZOLE Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL270271 |
| Name | ETACONAZOLE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | DWRKFAJEBUWTQM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
3
Known Names
2
Indications
Molecular Properties
328.2
MW (Da)
3.26
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Neoplasms Prostatic Neoplasms
Activity Summary
IC50 1 meas. best 6.68
Kd 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | Kd | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human recombinant CYP3A4 expressed in Saccharomyces cerevisiae by ... | 18311908 |
| Cytochrome P450 3A4 | Kd | = | 210.0 | nM | 6.68 | Binding affinity to purified human recombinant CYP3A4 expressed in Escherichia c... | 18311908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311908 | 10.1021/jm701121y | Cytochrome P450 3A4 | 3 |
| 18311908 | 10.1021/jm701121y | Cytochrome P450 2C9 | 2 |
Data from ChEMBL 36 via Core Engine