Compound Detail
CHEMBL2269244
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Basic Information
| ChEMBL ID | CHEMBL2269244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMLPVBKWBZSJGI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
418.3
MW (Da)
5.09
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Echinochloa oryzicola CHEMBL2366952 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Oryza sativa CHEMBL613061 | IC50 | 5.58 | 5.58 | 2630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Echinochloa oryzicola | IC50 | = | 25.0 | nM | 7.6 | Herbicidal activity against Echinochloa oryzicola assessed as shoot length after... | - |
| Oryza sativa | IC50 | = | 2630.0 | nM | 5.58 | Toxicity in Oryza sativa (rice) assessed as shoot length after 7 days by hydropo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.29.339 | Echinochloa oryzicola | 10 |
| - | 10.1584/jpestics.30.384 | Echinochloa oryzicola | 9 |
| - | 10.1584/jpestics.29.339 | Oryza sativa | 8 |
| - | 10.1584/jpestics.30.384 | No relevant target | 6 |
| - | 10.1584/jpestics.30.384 | Oryza sativa | 6 |
| - | 10.1584/jpestics.29.339 | Schoenoplectiella juncoides | 4 |
| - | 10.1584/jpestics.29.339 | No relevant target | 1 |
| - | 10.1584/jpestics.30.384 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine