Compound Detail
CHEMBL2286277
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Basic Information
| ChEMBL ID | CHEMBL2286277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUBSFUOSDLDYMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
4.74
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botrytis cinerea CHEMBL612399 | EC50 | 5.54 | 5.54 | 2884.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botrytis cinerea | EC50 | = | 2884.03 | nM | 5.54 | 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