Compound Detail
CHEMBL2287127
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Basic Information
| ChEMBL ID | CHEMBL2287127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLJHSTKKPDGEHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
1.04
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b6-f complex subunit 4 CHEMBL2366461 | IC50 | 4.75 | 4.75 | 17782.8 | 1 |
| Protoporphyrinogen IX oxidase CHEMBL2366515 | IC50 | 4.73 | 4.73 | 18620.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b6-f complex subunit 4 | IC50 | = | 17782.79 | nM | 4.75 | Inhibition of photosystem-mediated photosynthetic electron transport in Spinacia... | - |
| Protoporphyrinogen IX oxidase | IC50 | = | 18620.87 | nM | 4.73 | Inhibition of photosystem-mediated photosynthetic electron transport in Scenedes... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.22.309 | Scenedesmus acutus | 12 |
| - | 10.1584/jpestics.22.309 | Cytochrome b6-f complex subunit 4 | 1 |
| - | 10.1584/jpestics.22.309 | Protoporphyrinogen IX oxidase | 1 |
Data from ChEMBL 36 via Core Engine