Compound Detail
CHEMBL2268929
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Basic Information
| ChEMBL ID | CHEMBL2268929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTRBARPXPPXLQC-PTNGSMBKSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.8
MW (Da)
3.90
ALogP
5
HBA
0
HBD
22.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Scenedesmus acutus CHEMBL2367199 | IC50 | 7.17 | 7.0433 | 67.6 | 3 |
| Echinochloa esculenta CHEMBL2367301 | IC50 | 6.8 | 6.8 | 158.5 | 1 |
| Protoporphyrinogen IX oxidase CHEMBL2366512 | IC50 | 5.96 | 5.96 | 1096.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Scenedesmus acutus | IC50 | = | 67.61 | nM | 7.17 | Phytotoxicity against Scenedesmus acutus assessed as reduction in chlorophyll co... | - |
| Scenedesmus acutus | IC50 | = | 91.2 | nM | 7.04 | Peroxidizing phytotoxicity against Scenedesmus acutus assessed as ethane product... | - |
| Scenedesmus acutus | IC50 | = | 120.23 | nM | 6.92 | Growth inhibition of Scenedesmus acutus assessed as reduction in packed cell vol... | - |
| Echinochloa esculenta | IC50 | = | 158.49 | nM | 6.8 | Growth inhibition of Echinochloa esculenta assessed as reduction of root growth | - |
| Protoporphyrinogen IX oxidase | IC50 | = | 1096.48 | nM | 5.96 | Inhibition of Protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedli... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.20.41 | Scenedesmus acutus | 3 |
| - | 10.1584/jpestics.20.41 | Protoporphyrinogen IX oxidase | 2 |
| - | 10.1584/jpestics.20.41 | Echinochloa esculenta | 1 |
Data from ChEMBL 36 via Core Engine