Compound Detail
CHEMBL107316
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Basic Information
| ChEMBL ID | CHEMBL107316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADEBPBSSDYVVLD-HXUWFJFHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.36
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Ki 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4780 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 3.3 | nM | 8.48 | Binding affinity tested against acetylcholinesterase in Torpedo californica | 15139762 |
| Acetylcholinesterase | IC50 | = | 5.3 | nM | 8.28 | Inhibition concentration against rat acetylcholinesterase | 7932538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139762 | 10.1021/jm031032a | Acetylcholinesterase | 1 |
| 7932538 | 10.1021/jm00045a020 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine