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Compound Detail

CHEMBL486029

EPOXICONAZOLE
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Fc1ccc([C@]2(Cn3cncn3)O[C@H]2c2ccccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL486029
Name EPOXICONAZOLE
Phase Preclinical
Structure Type MOL
InChI Key ZMYFCFLJBGAQRS-IRXDYDNUSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

329.8
MW (Da)
3.74
ALogP
4
HBA
0
HBD
43.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClFN3O
MW 329.76
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.78

Activity Summary

EC50 5 meas.

Literature References

PubMed DOI Target Context # Activities
22411894 10.1002/ps.3263 Zymoseptoria tritici 19
23073993 10.1002/ps.3408 Oculimacula yallundae 18
- 10.1016/j.cropro.2006.06.006 Fusarium graminearum 13
17804411 10.1074/jbc.m705856200 Aspergillus niger 4
- 10.1016/j.cropro.2006.06.006 Rattus norvegicus 2
23073993 10.1002/ps.3408 Unchecked 2
23073993 10.1002/ps.3408 Oculimacula acuformis 2
- 10.1016/j.cropro.2006.06.006 NON-PROTEIN TARGET 1
- 10.1016/j.cropro.2006.06.006 No relevant target 1

Data from ChEMBL 36 via Core Engine