Compound Detail
CHEMBL271579
BROMUCONAZOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL271579 |
| Name | BROMUCONAZOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJJVPARKXDDIQD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
377.1
MW (Da)
3.66
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human recombinant CYP3A4 expressed in Saccharomyces cerevisiae by ... | 18311908 |
| Cytochrome P450 2C9 | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of human recombinant CYP2C9 expressed in Saccharomyces cerevisiae by ... | 18311908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23073993 | 10.1002/ps.3408 | Oculimacula yallundae | 18 |
| - | 10.1016/j.cropro.2005.11.008 | Rhizoctonia solani | 6 |
| 18311908 | 10.1021/jm701121y | Cytochrome P450 3A4 | 2 |
| 18311908 | 10.1021/jm701121y | Cytochrome P450 2C9 | 2 |
| 23073993 | 10.1002/ps.3408 | Unchecked | 2 |
| 23073993 | 10.1002/ps.3408 | Oculimacula acuformis | 2 |
| - | 10.1016/j.cropro.2006.06.006 | Fusarium culmorum | 1 |
Data from ChEMBL 36 via Core Engine