Compound Detail
CHEMBL2269741
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Basic Information
| ChEMBL ID | CHEMBL2269741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKXJESTUTBOTSI-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.8
MW (Da)
3.79
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protoporphyrinogen IX oxidase CHEMBL2366512 | IC50 | 8.9 | 8.88 | 1.3 | 2 |
| Protoporphyrinogen oxidase, chloroplastic CHEMBL2366510 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Scenedesmus acutus CHEMBL2367199 | IC50 | 7.86 | 7.3125 | 13.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protoporphyrinogen IX oxidase | IC50 | = | 1.259 | nM | 8.9 | Inhibition of protoporphyrinogen IX oxidase in Zea mays (maize) seed after 5 min... | - |
| Protoporphyrinogen IX oxidase | IC50 | = | 1.38 | nM | 8.86 | Inhibition of protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedli... | - |
| Protoporphyrinogen oxidase, chloroplastic | IC50 | = | 7.943 | nM | 8.1 | Inhibition of protoporphyrinogen-9 oxidase in Echinochloa esculenta seed after 5... | - |
| Scenedesmus acutus | IC50 | = | 13.8 | nM | 7.86 | Growth inhibition of Scenedesmus acutus assessed as changes in packed cell volum... | - |
| Scenedesmus acutus | IC50 | = | 57.54 | nM | 7.24 | Phytotoxicity against Scenedesmus acutus assessed as reduction in chlorophyll co... | - |
| Scenedesmus acutus | IC50 | = | 79.43 | nM | 7.1 | Inhibition of light-induced ethane formation in Scenedesmus acutus after 20 hr | - |
| Scenedesmus acutus | IC50 | = | 89.13 | nM | 7.05 | Peroxidizing phytotoxicity against Scenedesmus acutus assessed as ethane product... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.24.28 | Scenedesmus acutus | 3 |
| - | 10.1584/jpestics.24.28 | Protoporphyrinogen IX oxidase | 1 |
| - | 10.1584/jpestics.22.299 | Protoporphyrinogen oxidase, chloroplastic | 1 |
| - | 10.1584/jpestics.22.299 | Scenedesmus acutus | 1 |
| - | 10.1584/jpestics.22.299 | Protoporphyrinogen IX oxidase | 1 |
Data from ChEMBL 36 via Core Engine