Compound Detail
CHEMBL5594084
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Basic Information
| ChEMBL ID | CHEMBL5594084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQEJEBOCGKSUKW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.7
MW (Da)
7.01
ALogP
4
HBA
3
HBD
57.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 84.0 | nM | 7.08 | Inhibition of equine BuChE | 38852337 |
| Acetylcholinesterase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human erythrocyte AChE using S-acetylthiocholine iodide as substra... | 38852337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38852337 | 10.1016/j.ejmech.2024.116569 | Acetylcholinesterase | 1 |
| 38852337 | 10.1016/j.ejmech.2024.116569 | Cholinesterase | 1 |
| 38852337 | 10.1016/j.ejmech.2024.116569 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine