Compound Detail
CHEMBL5594827
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Basic Information
| ChEMBL ID | CHEMBL5594827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBPJIEQJMNSVBM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
6.61
ALogP
3
HBA
1
HBD
20.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.58 | 4.58 | 26500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of equine BuChE | 38852337 |
| Acetylcholinesterase | IC50 | = | 26500.0 | nM | 4.58 | Inhibition of electric eel AChE | 38852337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38852337 | 10.1016/j.ejmech.2024.116569 | Cholinesterase | 1 |
| 38852337 | 10.1016/j.ejmech.2024.116569 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine