Compound Detail
CHEMBL209392
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Basic Information
| ChEMBL ID | CHEMBL209392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDHBXSBNUQDWLT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
6.41
ALogP
3
HBA
0
HBD
30.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.43 | 7.43 | 37.5 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 7.15 | 7.15 | 70.5 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.13 | 7.13 | 73.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 37.5 | nM | 7.43 | Inhibition of rat brain homogenate AchE | 16735118 |
| Acetylcholinesterase | IC50 | = | 70.5 | nM | 7.15 | Inhibition of electric eel AchE | 16735118 |
| Acetylcholinesterase | IC50 | = | 73.6 | nM | 7.13 | Inhibition of human serum AchE | 16735118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16735118 | 10.1016/j.bmcl.2006.05.030 | Acetylcholinesterase | 3 |
| 16735118 | 10.1016/j.bmcl.2006.05.030 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine