Compound Detail
CHEMBL5414144
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Basic Information
| ChEMBL ID | CHEMBL5414144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWVFIQIWZRMQIM-WQRHYEAKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
4.47
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate... | 38516603 |
| Cholinesterase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pr... | 38516603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38516603 | 10.1039/d3md00708a | Cholinesterase | 1 |
| 38516603 | 10.1039/d3md00708a | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine