Compound Detail
CHEMBL487186
TEBUCONAZOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL487186 |
| Name | TEBUCONAZOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXMNMQRDXWABCY-UHFFFAOYSA-N |
4
Targets
11
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
307.8
MW (Da)
3.34
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas.
IC50 5 meas. best 6.9
Kd 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol 14-alpha demethylase CHEMBL1075110 | IC50 | 6.9 | 6.9 | 125.9 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.9 | 6.7333 | 125.9 | 3 |
| Cytochrome P450 14alpha-demethylase CHEMBL2366401 | Kd | 6.5 | 6.5 | 320.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 125.89 | nM | 6.9 | GSK_TCAKS: pIC50 Trypanosoma cruzi viability assay using beta-GAL activity. This... | - |
| Sterol 14-alpha demethylase | IC50 | = | 125.89 | nM | 6.9 | GSK_TCAKS: pIC50 CYP51 from Trypanosoma cruzi. | - |
| Trypanosoma cruzi | IC50 | = | 199.53 | nM | 6.7 | GSK_TCAKS: pIC50 Trypanosoma cruzi Imaging: Amastigotes/Cell. H9c2 cells were se... | - |
| Trypanosoma cruzi | IC50 | = | 251.19 | nM | 6.6 | GSK_TCAKS: pIC50 Trypanosoma cruzi Imaging: Infected Cells. H9c2 cells were seed... | - |
| Cytochrome P450 14alpha-demethylase | Kd | = | 320.0 | nM | 6.5 | Binding affinity to Penicillium digitatum CYP51 expressed in Escherichia coli BL... | 19572650 |
| Leishmania donovani | IC50 | = | 3162.28 | nM | 5.5 | GSK_TCAKS: pIC50 Leishmania donovani viability assay using fluorescence intensit... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22411909 | 10.1002/ps.3277 | Gaeumannomyces tritici | 66 |
| 20949548 | 10.1002/ps.2029 | Erysiphe necator | 16 |
| 23073993 | 10.1002/ps.3408 | Oculimacula yallundae | 15 |
| - | 10.1016/j.cropro.2006.07.001 | Monilinia fructicola | 15 |
| 22290833 | 10.1002/ps.2309 | Neofusicoccum luteum | 14 |
| - | 10.1016/j.cropro.2012.06.009 | Podosphaera xanthii | 12 |
| - | 10.1016/j.cropro.2012.04.001 | Monilinia laxa | 11 |
| 20013877 | 10.1002/ps.1890 | Plenodomus lingam | 9 |
| 22411894 | 10.1002/ps.3263 | Zymoseptoria tritici | 9 |
| 20013877 | 10.1002/ps.1890 | Plenodomus biglobosus | 9 |
| 17620378 | 10.1128/aac.00654-07 | Colletotrichum graminicola | 8 |
| - | 10.1016/j.cropro.2006.06.006 | Fusarium graminearum | 7 |
| - | 10.1016/j.cropro.2005.11.008 | Rhizoctonia solani | 6 |
| 22290833 | 10.1002/ps.2309 | Diplodia mutila | 6 |
| 22290833 | 10.1002/ps.2309 | Neofusicoccum australe | 6 |
| - | 10.6019/CHEMBL3430912 | Trypanosoma cruzi | 4 |
| - | 10.1016/j.cropro.2006.01.002 | Malus domestica | 4 |
| 17548494 | 10.1128/aac.00459-07 | Candida albicans | 4 |
| - | 10.6019/CHEMBL3430912 | Leishmania donovani | 4 |
| - | 10.1016/j.cropro.2005.11.008 | Glycine max | 2 |
Data from ChEMBL 36 via Core Engine