Compound Detail
CHEMBL2269169
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2269169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OETSXDVCJFOIFH-RUDMXATFSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
347.8
MW (Da)
4.87
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Scenedesmus acutus CHEMBL2367199 | IC50 | 6.38 | 5.6125 | 416.9 | 4 |
| Gossypium hirsutum CHEMBL613192 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Protoporphyrinogen IX oxidase CHEMBL2366512 | IC50 | 5.87 | 5.87 | 1349.0 | 1 |
| Protoporphyrinogen oxidase 1, chloroplastic CHEMBL2366479 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Scenedesmus acutus | IC50 | = | 416.87 | nM | 6.38 | Phytotoxic activity against Scenedesmus acutus assessed as inhibition of caroten... | - |
| Scenedesmus acutus | IC50 | = | 660.69 | nM | 6.18 | Phytotoxic activity against Scenedesmus acutus assessed as decrease in chlorophy... | - |
| Gossypium hirsutum | IC50 | = | 1000.0 | nM | 6.0 | Phytotoxicity against Gossypium hirsutum (cotton) seedlings assessed as inhibiti... | - |
| Protoporphyrinogen IX oxidase | IC50 | = | 1348.96 | nM | 5.87 | Inhibition of Protoporphyrinogen IX oxidase in Zea mays (maize) seedlings assess... | - |
| Scenedesmus acutus | IC50 | = | 2630.27 | nM | 5.58 | Phytotoxic activity against Scenedesmus acutus assessed as growth inhibition mea... | - |
| Protoporphyrinogen oxidase 1, chloroplastic | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of protoporphyrinogen oxidase in Gossypium hirsutum (cotton) seedling... | - |
| Scenedesmus acutus | IC50 | = | 48977.88 | nM | 4.31 | Phytotoxic activity against Scenedesmus acutus assessed as ethane formation meas... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.27.272 | Scenedesmus acutus | 4 |
| - | 10.1584/jpestics.27.9 | Gossypium hirsutum | 3 |
| - | 10.1584/jpestics.27.9 | Chlorella salina | 2 |
| - | 10.1584/jpestics.24.1 | Echinochloa oryzicola | 2 |
| - | 10.1584/jpestics.27.272 | Protoporphyrinogen IX oxidase | 1 |
| - | 10.1584/jpestics.27.9 | Unchecked | 1 |
| - | 10.1584/jpestics.27.9 | Protoporphyrinogen oxidase 1, chloroplastic | 1 |
| - | 10.1584/jpestics.24.7 | Echinochloa oryzicola | 1 |
| - | 10.1584/jpestics.27.272 | Echinochloa crus-galli | 1 |
Data from ChEMBL 36 via Core Engine