Compound Detail
CHEMBL108696
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Basic Information
| ChEMBL ID | CHEMBL108696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPRFBYAXJXJEIV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
5.44
ALogP
4
HBA
1
HBD
56.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4780 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of activity against Torpedo Ray acetylcholinesterase. | 11563919 |
| Acetylcholinesterase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Torpedo californica AChE | 18479118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563919 | 10.1021/jm010826r | Acetylcholinesterase | 1 |
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine