Compound Detail
CHEMBL166194
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Basic Information
| ChEMBL ID | CHEMBL166194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQSFVLAYSTUSTE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
247.7
MW (Da)
2.90
ALogP
3
HBA
1
HBD
41.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.45 | 4.45 | 35900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1260.0 | nM | 5.9 | Inhibitory activity against acetylcholinesterase in human RBC | - |
| Acetylcholinesterase | IC50 | = | 35900.0 | nM | 4.45 | Inhibitory activity against acetylcholinesterase in rat brain | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00102-3 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine