Compound Detail
CHEMBL474837
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Basic Information
| ChEMBL ID | CHEMBL474837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZSKZDFELQPJIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.70
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1570.0 | nM | 5.8 | Inhibition of human recombinant AChE by Ellman's method | 18396354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24681980 | 10.1016/j.ejmech.2014.03.042 | SH-SY5Y | 3 |
| 18396354 | 10.1016/j.ejmech.2008.02.035 | Acetylcholinesterase | 1 |
| 18396354 | 10.1016/j.ejmech.2008.02.035 | Cholinesterase | 1 |
| 24681980 | 10.1016/j.ejmech.2014.03.042 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine