Compound Detail
CHEMBL240793
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Basic Information
| ChEMBL ID | CHEMBL240793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSFLLWRKYGCUSF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.03
ALogP
4
HBA
0
HBD
70.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.64 | 6.64 | 230.8 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.63 | 6.63 | 233.8 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.6 | 6.6 | 250.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 230.8 | nM | 6.64 | Inhibition of human serum AChE by Ellman colorimetric assay | 17888667 |
| Acetylcholinesterase | IC50 | = | 233.8 | nM | 6.63 | Inhibition of Wistar rat brain AChE by Ellman colorimetric assay | 17888667 |
| Acetylcholinesterase | IC50 | = | 250.1 | nM | 6.6 | Inhibition of electric eel AChE by Ellman colorimetric assay | 17888667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17888667 | 10.1016/j.bmc.2007.07.014 | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine