Compound Detail
CHEMBL5198764
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Basic Information
| ChEMBL ID | CHEMBL5198764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOKSRMUYIAYWHJ-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.91
ALogP
3
HBA
1
HBD
50.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sclerotinia sclerotiorum CHEMBL613280 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sclerotinia sclerotiorum | EC50 | = | 13000.0 | nM | 4.89 | Antifungal activity against Sclerotinia sclerotiorum | 34954591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34954591 | 10.1016/j.ejmech.2021.114057 | Sclerotinia sclerotiorum | 1 |
Data from ChEMBL 36 via Core Engine