Compound Detail
CHEMBL386541
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Basic Information
| ChEMBL ID | CHEMBL386541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIGBHFJNVWQBMB-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.9
MW (Da)
2.99
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 7.41 | 6.4525 | 39.0 | 4 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.39 | 7.39 | 40.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 39.0 | nM | 7.41 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
| Acetylcholinesterase | IC50 | = | 40.5 | nM | 7.39 | Inhibition of human erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 118.0 | nM | 6.93 | Inhibition of bovine erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 1370.0 | nM | 5.86 | Inhibition of bovine erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 2450.0 | nM | 5.61 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154513 | 10.1021/jm060945c | Acetylcholinesterase | 6 |
| 17154513 | 10.1021/jm060945c | Cholinesterase | 2 |
Data from ChEMBL 36 via Core Engine