Compound Detail
CHEMBL5412564
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Basic Information
| ChEMBL ID | CHEMBL5412564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICNPKYKIVQPEDC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
500.1
MW (Da)
8.65
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human AChE | 36044812 |
| Cholinesterase | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human BChE | 36044812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36044812 | 10.1016/j.ejmech.2022.114695 | Acetylcholinesterase | 1 |
| 36044812 | 10.1016/j.ejmech.2022.114695 | Cholinesterase | 1 |
| 36044812 | 10.1016/j.ejmech.2022.114695 | Amyloid-beta precursor protein | 1 |
| 36044812 | 10.1016/j.ejmech.2022.114695 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine