Compound Detail
CHEMBL3770356
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Basic Information
| ChEMBL ID | CHEMBL3770356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYHKPWBWEXXTRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
5.15
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of human AChE using acetylthiocholine iodide as substrate preincubate... | - |
| Cholinesterase | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate preincu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00274E | Amyloid-beta precursor protein | 4 |
| - | 10.1039/C5MD00274E | Cholinesterase | 1 |
| - | 10.1039/C5MD00274E | Acetylcholinesterase | 1 |
| - | 10.1039/C5MD00274E | Unchecked | 1 |
| - | 10.1039/C5MD00274E | No relevant target | 1 |
| - | 10.1039/C5MD00274E | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine