Compound Detail
CHEMBL5592518
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Basic Information
| ChEMBL ID | CHEMBL5592518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNSQBUNVLVSCFP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.8
MW (Da)
5.26
ALogP
4
HBA
4
HBD
73.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.12 | 5.12 | 7530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of equine BuChE | 38852337 |
| Acetylcholinesterase | IC50 | = | 7530.0 | nM | 5.12 | Inhibition of human AChE by Ellman's method | 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 |
Data from ChEMBL 36 via Core Engine