Compound Detail
CHEMBL2271051
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Basic Information
| ChEMBL ID | CHEMBL2271051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOCKLGZDTABYEP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.93
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Echinochloa esculenta CHEMBL2367301 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Oryza sativa CHEMBL613061 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Echinochloa esculenta | IC50 | = | 8.8 | nM | 8.06 | Herbicidal activity against Echinochloa esculenta assessed as inhibition of seed... | - |
| Oryza sativa | IC50 | = | 10.0 | nM | 8.0 | Herbicidal activity against Oryza sativa (rice) assessed as inhibition of seed g... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.26.143 | Echinochloa esculenta | 5 |
| - | 10.1584/jpestics.26.143 | Oryza sativa | 2 |
Data from ChEMBL 36 via Core Engine