Compound Detail
CHEMBL5208725
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Basic Information
| ChEMBL ID | CHEMBL5208725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHVZYWOSAKGOJG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.5
MW (Da)
3.97
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 8.18 | 8.18 | 6.5 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 7.48 | 7.48 | 33.3 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 6.55 | nM | 8.18 | Inhibition of equine serum BuChE | 34742016 |
| Acetylcholinesterase | IC50 | = | 33.3 | nM | 7.48 | Inhibition of electric eel AChE | 34742016 |
| Acetylcholinesterase | IC50 | = | 225.0 | nM | 6.65 | Inhibition of human AChE | 34742016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34742016 | 10.1016/j.ejmech.2021.113949 | Acetylcholinesterase | 2 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Cholinesterase | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine