Compound Detail
CHEMBL4540355
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COc1c(C(=O)CCC2CCN(Cc3ccccc3)CC2)cc(Cl)c2[nH]c([Si](C)(C)C)cc12
Basic Information
| ChEMBL ID | CHEMBL4540355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPSZYPNQOASYLS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.56 | 6.56 | 275.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 275.0 | nM | 6.56 | 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