Compound Detail
CHEMBL2268932
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 | CHEMBL2268932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKAKQVQVRZNCMP-JXAWBTAJSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.0
MW (Da)
4.16
ALogP
8
HBA
0
HBD
48.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protoporphyrinogen IX oxidase CHEMBL2366512 | IC50 | 6.92 | 6.92 | 120.2 | 1 |
| Scenedesmus acutus CHEMBL2367199 | IC50 | 6.72 | 6.58 | 190.6 | 3 |
| Echinochloa esculenta CHEMBL2367301 | IC50 | 6.57 | 6.57 | 269.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protoporphyrinogen IX oxidase | IC50 | = | 120.23 | nM | 6.92 | Inhibition of Protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedli... | - |
| Scenedesmus acutus | IC50 | = | 190.55 | nM | 6.72 | Phytotoxicity against Scenedesmus acutus assessed as reduction in chlorophyll co... | - |
| Scenedesmus acutus | IC50 | = | 245.47 | nM | 6.61 | Growth inhibition of Scenedesmus acutus assessed as reduction in packed cell vol... | - |
| Echinochloa esculenta | IC50 | = | 269.15 | nM | 6.57 | Growth inhibition of Echinochloa esculenta assessed as reduction of root growth | - |
| Scenedesmus acutus | IC50 | = | 389.05 | nM | 6.41 | Peroxidizing phytotoxicity against Scenedesmus acutus assessed as ethane product... | - |
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