Compound Detail
CHEMBL1081300
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Basic Information
| ChEMBL ID | CHEMBL1081300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNXQOPMLFXVWJX-QUCCMNQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.9
MW (Da)
4.32
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.41 | 7.41 | 38.7 | 1 |
| Butyrylcholinesterase CHEMBL3403 | IC50 | 6.98 | 6.98 | 105.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 38.7 | nM | 7.41 | Inhibition of rat brain AChE by Ellman's method | 20144867 |
| Butyrylcholinesterase | IC50 | = | 105.4 | nM | 6.98 | Inhibition of rat plasma BChE by Ellman's method | 20144867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20144867 | 10.1016/j.bmcl.2010.01.097 | Acetylcholinesterase | 1 |
| 20144867 | 10.1016/j.bmcl.2010.01.097 | Butyrylcholinesterase | 1 |
| 20144867 | 10.1016/j.bmcl.2010.01.097 | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | 1 |
Data from ChEMBL 36 via Core Engine