Compound Detail
CHEMBL3323036
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Basic Information
| ChEMBL ID | CHEMBL3323036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDJCEVNDAZNLPF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.68
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 8.16 | 8.16 | 6.9 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.85 | 6.845 | 142.0 | 2 |
| Cholinesterase CHEMBL5763 | IC50 | 5.38 | 5.38 | 4140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 6.9 | nM | 8.16 | Inhibition of electric eel AChE | 25047936 |
| Acetylcholinesterase | IC50 | = | 6.902 | nM | 8.16 | Inhibition of electric eel AChE | 25047936 |
| Acetylcholinesterase | IC50 | = | 142.0 | nM | 6.85 | Inhibition of human AChE | 25047936 |
| Acetylcholinesterase | IC50 | = | 142.89 | nM | 6.84 | Inhibition of human AChE | 25047936 |
| Cholinesterase | IC50 | = | 4140.0 | nM | 5.38 | Inhibition of equine serum BChE | 25047936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25047936 | 10.1016/j.bmc.2014.06.045 | Acetylcholinesterase | 4 |
| 25047936 | 10.1016/j.bmc.2014.06.045 | Unchecked | 2 |
| 25047936 | 10.1016/j.bmc.2014.06.045 | Cholinesterase | 2 |
Data from ChEMBL 36 via Core Engine