Compound Detail
CHEMBL4559904
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Basic Information
| ChEMBL ID | CHEMBL4559904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGHVGXHVNKORID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.0
MW (Da)
6.10
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.07 | 7.07 | 84.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 84.4 | nM | 7.07 | Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrat... | 30447434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30447434 | 10.1016/j.ejmech.2018.10.064 | 5-hydroxytryptamine receptor 4 | 2 |
| 30447434 | 10.1016/j.ejmech.2018.10.064 | Acetylcholinesterase | 2 |
| 30447434 | 10.1016/j.ejmech.2018.10.064 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine