Compound Detail
CHEMBL2269749
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Basic Information
| ChEMBL ID | CHEMBL2269749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMELNHMMZONLJV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.8
MW (Da)
3.65
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protoporphyrinogen IX oxidase CHEMBL2366512 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Scenedesmus acutus CHEMBL2367199 | IC50 | 6.18 | 5.9533 | 660.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protoporphyrinogen IX oxidase | IC50 | = | 2.188 | nM | 8.66 | Inhibition of protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedli... | - |
| Scenedesmus acutus | IC50 | = | 660.69 | nM | 6.18 | Peroxidizing phytotoxicity against Scenedesmus acutus assessed as ethane product... | - |
| Scenedesmus acutus | IC50 | = | 1122.02 | nM | 5.95 | Growth inhibition of Scenedesmus acutus assessed as changes in packed cell volum... | - |
| Scenedesmus acutus | IC50 | = | 1862.09 | nM | 5.73 | Phytotoxicity against Scenedesmus acutus assessed as reduction in chlorophyll co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.24.28 | Scenedesmus acutus | 3 |
| - | 10.1584/jpestics.24.28 | Protoporphyrinogen IX oxidase | 1 |
Data from ChEMBL 36 via Core Engine