Compound Detail
CHEMBL61929
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Basic Information
| ChEMBL ID | CHEMBL61929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZBQUUNPSWNEND-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.71
ALogP
4
HBA
1
HBD
57.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.29 | 5.2825 | 5128.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 5128.61 | nM | 5.29 | Experimental pIC50 values for the inhibition of acetylcholinesterase | 10821713 |
| Acetylcholinesterase | IC50 | = | 5200.0 | nM | 5.28 | Inhibitory activity against human erythrocyte acetylcholinesterase | 10821713 |
| Acetylcholinesterase | IC50 | = | 5248.07 | nM | 5.28 | Inhibitory activity against human erythrocyte acetylcholinesterase | 15317459 |
| Acetylcholinesterase | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of AChE | 20053484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821713 | 10.1021/jm990971t | Acetylcholinesterase | 2 |
| 15317459 | 10.1021/jm049877p | Acetylcholinesterase | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine