Compound Detail
CHEMBL392577
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Basic Information
| ChEMBL ID | CHEMBL392577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEDDVJWUHICGPI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
7.44
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 8.46 | 8.46 | 3.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 3.5 | nM | 8.46 | Inhibition of human plasma BuChE activity | 17681768 |
| Acetylcholinesterase | Ki | = | 3.5 | nM | 8.46 | Inhibition of human erythrocytes BChE | 21459491 |
| Acetylcholinesterase | Ki | = | 3.5 | nM | 8.46 | Inhibition of human plasma BChE | 21459491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21459491 | 10.1016/j.ejmech.2011.02.071 | Acetylcholinesterase | 4 |
| 17681768 | 10.1016/j.bmc.2007.06.060 | Cholinesterase | 1 |
| 17681768 | 10.1016/j.bmc.2007.06.060 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine