Compound Detail
CHEMBL560579
PROPICONAZOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL560579 |
| Name | PROPICONAZOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STJLVHWMYQXCPB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
342.2
MW (Da)
3.65
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.39
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.39 | 7.39 | 41.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.98 | 5.98 | 1039.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 41.0 | nM | 7.39 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Cytochrome P450 3A4 | IC50 | = | 1039.92 | nM | 5.98 | Inhibition of CYP3A4 | 19128860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.cropro.2006.02.001 | Colletotrichum truncatum | 51 |
| - | 10.1016/j.cropro.2006.07.001 | Monilinia fructicola | 15 |
| - | 10.1016/j.cropro.2006.06.008 | Fusarium odoratissimum | 5 |
| - | 10.1584/jpestics.G11-41 | Rhizoctonia solani | 4 |
| - | 10.1016/j.cropro.2006.06.008 | Musa acuminata AAA Group | 2 |
| - | 10.1016/j.cropro.2006.02.001 | Capsicum annuum | 1 |
| - | 10.1584/jpestics.G11-41 | Sclerotinia sclerotiorum | 1 |
| - | 10.1584/jpestics.G11-41 | Fusarium graminearum | 1 |
| - | 10.1584/jpestics.G11-41 | Botrytis cinerea | 1 |
| - | 10.1584/jpestics.G11-41 | Phytophthora capsici | 1 |
| - | 10.1584/jpestics.G11-41 | Alternaria alternata | 1 |
| - | 10.1584/jpestics.G11-41 | Ustilaginoidea | 1 |
| - | 10.1016/j.cropro.2006.02.001 | Puccinia allii | 1 |
| 19128860 | 10.1016/j.ejmech.2008.12.004 | Cytochrome P450 3A4 | 1 |
| 20014765 | 10.1021/jf902168d | Alternaria solani | 1 |
| 20014765 | 10.1021/jf902168d | Mycosphaerella arachidis | 1 |
| 20014765 | 10.1021/jf902168d | Botryosphaeria berengeriana | 1 |
| 20014765 | 10.1021/jf902168d | Fusarium graminearum | 1 |
| 20014765 | 10.1021/jf902168d | Botrytis cinerea | 1 |
Data from ChEMBL 36 via Core Engine