Compound Detail
CHEMBL1819173
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Basic Information
| ChEMBL ID | CHEMBL1819173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEDTVNQWFBUMMP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
5.98
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 7.83 | 7.83 | 14.7 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.55 | 7.55 | 28.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 14.7 | nM | 7.83 | Inhibition of human serum recombinant BChE using butyrylthiocholine iodide as su... | 21798635 |
| Acetylcholinesterase | IC50 | = | 28.4 | nM | 7.55 | Inhibition of human serum recombinant AChE using acetylthiocholine iodide as sub... | 21798635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21798635 | 10.1016/j.ejmech.2011.07.004 | Acetylcholinesterase | 1 |
| 21798635 | 10.1016/j.ejmech.2011.07.004 | Cholinesterase | 1 |
| 21798635 | 10.1016/j.ejmech.2011.07.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine