Compound Detail
CHEMBL307721
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Basic Information
| ChEMBL ID | CHEMBL307721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKAKQLGKPNQEPO-RDJZCZTQSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
2.33
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 8.52 | 8.16 | 3.0 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.5 | 7.425 | 32.0 | 2 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against Butyrylcholinesterase in plasma | 2202827 |
| Cholinesterase | IC50 | = | 16.0 | nM | 7.8 | Inhibitory activity against Butyrylcholinesterase in cortex | 2202827 |
| Acetylcholinesterase | IC50 | = | 32.0 | nM | 7.5 | Inhibitory activity against Acetylcholinesterase in cortex | 2202827 |
| Acetylcholinesterase | IC50 | = | 45.0 | nM | 7.35 | Inhibitory activity against Acetylcholinesterase in erythrocyte | 2202827 |
| Acetylcholinesterase | IC50 | = | 69.0 | nM | 7.16 | Inhibitory activity against Acetylcholinesterase in electric eel | 2202827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2202827 | 10.1021/jm00171a001 | Acetylcholinesterase | 3 |
| 2202827 | 10.1021/jm00171a001 | Cholinesterase | 2 |
Data from ChEMBL 36 via Core Engine