Compound Detail
CHEMBL4756123
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Basic Information
| ChEMBL ID | CHEMBL4756123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQCKUNDDSPHQOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.04
ALogP
9
HBA
0
HBD
100.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.63 | 6.63 | 234.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 234.0 | nM | 6.63 | Inhibition of electric eel AChE by Ellman's method | 32781220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32781220 | 10.1016/j.bmcl.2020.127477 | Acetylcholinesterase | 1 |
| 32781220 | 10.1016/j.bmcl.2020.127477 | Cholinesterase | 1 |
| 32781220 | 10.1016/j.bmcl.2020.127477 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine