Compound Detail
CHEMBL188714
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Basic Information
| ChEMBL ID | CHEMBL188714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAOZAHRAUOKLTI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
3.10
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 7.27 | 7.27 | 53.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 54.0 | nM | 7.27 | Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay | 15481986 |
| Acetylcholinesterase | Ki | = | 53.7 | nM | 7.27 | Binding affinity towards Acetylcholinesterase | 15481986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481986 | 10.1021/jm049695v | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine