Compound Detail
CHEMBL3323045
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Basic Information
| ChEMBL ID | CHEMBL3323045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYDAWNYRRQAAEA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
3.29
ALogP
6
HBA
0
HBD
61.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.61 | 5.61 | 2437.8 | 2 |
| Cholinesterase CHEMBL5763 | IC50 | 5.06 | 5.06 | 8680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2440.0 | nM | 5.61 | Inhibition of electric eel AChE | 25047936 |
| Acetylcholinesterase | IC50 | = | 2437.81 | nM | 5.61 | Inhibition of electric eel AChE | 25047936 |
| Cholinesterase | IC50 | = | 8680.0 | nM | 5.06 | Inhibition of equine serum BChE | 25047936 |
| Cholinesterase | IC50 | = | 8689.6 | nM | 5.06 | Inhibition of equine serum BChE | 25047936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25047936 | 10.1016/j.bmc.2014.06.045 | Acetylcholinesterase | 2 |
| 25047936 | 10.1016/j.bmc.2014.06.045 | Cholinesterase | 2 |
| 25047936 | 10.1016/j.bmc.2014.06.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine