Compound Detail
CHEMBL3770866
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Basic Information
| ChEMBL ID | CHEMBL3770866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSOOALFUMBNHRK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.9
MW (Da)
6.10
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate preincu... | - |
| Acetylcholinesterase | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of human AChE using acetylthiocholine iodide as substrate preincubate... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00274E | Cholinesterase | 1 |
| - | 10.1039/C5MD00274E | Acetylcholinesterase | 1 |
| - | 10.1039/C5MD00274E | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine