Compound Detail
CHEMBL185254
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Basic Information
| ChEMBL ID | CHEMBL185254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSTKGMMNAPDCJA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.6
MW (Da)
3.68
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Butyrylcholinesterase CHEMBL3403 | IC50 | 5.16 | 5.16 | 6920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 230.0 | nM | 6.64 | Inhibitory concentration against rat cortex Acetylcholinesterase | 15324879 |
| Butyrylcholinesterase | IC50 | = | 6920.0 | nM | 5.16 | Inhibitory concentration against rat serum Butyrylcholinesterase | 15324879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324879 | 10.1016/j.bmcl.2004.07.005 | Acetylcholinesterase | 1 |
| 15324879 | 10.1016/j.bmcl.2004.07.005 | Butyrylcholinesterase | 1 |
| 15324879 | 10.1016/j.bmcl.2004.07.005 | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | 1 |
Data from ChEMBL 36 via Core Engine