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Compound Detail

CHEMBL2286267

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C#CCc1c(Cl)cc(N/C=N/OC(C)CC)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2286267
Phase Preclinical
Structure Type MOL
InChI Key FMDSMRYTINWMFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

299.2
MW (Da)
4.34
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16Cl2N2O
MW 299.20
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.70

Activity Summary

EC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Botrytis cinerea
CHEMBL612399
 EC50 6.8 6.8 158.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Botrytis cinerea EC50 = 158.49 nM 6.8 Fungicidal activity against benzimidazole-resistant Botryotinia fuckeliana after... -

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.17.17 Botrytis cinerea 1
- 10.1584/jpestics.17.17 No relevant target 1
- 10.1584/jpestics.17.17 Phaseolus vulgaris 1

Data from ChEMBL 36 via Core Engine