Compound Detail
CHEMBL293842
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Basic Information
| ChEMBL ID | CHEMBL293842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCCWBTOIDNKQAT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
3.40
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.37 | 5.37 | 4265.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4265.8 | nM | 5.37 | Experimental pIC50 values for the inhibition of acetylcholinesterase | 10821713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821713 | 10.1021/jm990971t | Acetylcholinesterase | 1 |
| 17158047 | 10.1016/j.bmcl.2006.11.022 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine