Compound Detail
CHEMBL2286886
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Basic Information
| ChEMBL ID | CHEMBL2286886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PINAKBXFAZUJBZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
245.2
MW (Da)
2.57
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protoporphyrinogen IX oxidase CHEMBL2366512 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Protoporphyrinogen oxidase, chloroplastic CHEMBL2366510 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
| Scenedesmus acutus CHEMBL2367199 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protoporphyrinogen IX oxidase | IC50 | = | 2511.89 | nM | 5.6 | Inhibition of protoporphyrinogen IX oxidase in Zea mays (maize) seed after 5 min... | - |
| Protoporphyrinogen oxidase, chloroplastic | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of protoporphyrinogen-9 oxidase in Echinochloa esculenta seed after 5... | - |
| Scenedesmus acutus | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of light-induced ethane formation in Scenedesmus acutus after 20 hr | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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