Compound Detail
CHEMBL2227968
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Basic Information
| ChEMBL ID | CHEMBL2227968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJNSFJURBJFSFO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.2
MW (Da)
4.92
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cucumis sativus CHEMBL613956 | IC50 | 6.51 | 5.55 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cucumis sativus | IC50 | = | 310.0 | nM | 6.51 | Herbicidal activity against Cucumis sativus Jin 4 (cucumber) assessed as inhibit... | 21452831 |
| Cucumis sativus | IC50 | = | 25700.0 | nM | 4.59 | Herbicidal activity against Cucumis sativus Jin 4 (cucumber) assessed as inhibit... | 21452831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21452831 | 10.1021/jf104247w | Cucumis sativus | 2 |
Data from ChEMBL 36 via Core Engine