Compound Detail
CHEMBL551746
DINICONAZOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL551746 |
| Name | DINICONAZOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBOUIAKEJMZPQG-MLPAPPSSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
3.99
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 14alpha-demethylase CHEMBL2366401 | Kd | 6.92 | 6.92 | 120.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 6.61 | 6.61 | 247.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 14alpha-demethylase | Kd | = | 120.0 | nM | 6.92 | Binding affinity to Penicillium digitatum CYP51 expressed in Escherichia coli BL... | 19572650 |
| Cytochrome P450 14alpha-demethylase | Kd | = | 120.0 | nM | 6.92 | Binding affinity to Penicillium digitatum recombinant N-terminal-His6 tagged CYP... | 20824690 |
| Unchecked | Kd | = | 247.3 | nM | 6.61 | Binding affinity to Penicillium digitatum CYP51 expressed in Escherichia coli by... | 19329311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19572650 | 10.1021/jf901554x | Cytochrome P450 14alpha-demethylase | 2 |
| 19572650 | 10.1021/jf901554x | Penicillium digitatum | 2 |
| 19329311 | 10.1016/j.bmcl.2009.03.028 | Unchecked | 1 |
| 20824690 | 10.1002/ps.2021 | Penicillium digitatum | 1 |
| 20824690 | 10.1002/ps.2021 | Cytochrome P450 14alpha-demethylase | 1 |
Data from ChEMBL 36 via Core Engine