Compound Detail
CHEMBL5198028
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Basic Information
| ChEMBL ID | CHEMBL5198028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEHBXODFHSCZLW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
4.11
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3198 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3.8 | nM | 8.42 | Inhibition of AChE in mouse cerebral cortex using acetylthiocholine iodide as su... | 35339839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35339839 | 10.1016/j.ejmech.2022.114305 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine