Compound Detail
CHEMBL294525
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Basic Information
| ChEMBL ID | CHEMBL294525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGQCQXFGSNJUNF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.5
MW (Da)
5.40
ALogP
4
HBA
1
HBD
68.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.54 | 6.5367 | 290.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 290.0 | nM | 6.54 | Inhibitory activity against human erythrocyte acetylcholinesterase | 10821713 |
| Acetylcholinesterase | IC50 | = | 290.0 | nM | 6.54 | Inhibition of AChE | 20053484 |
| Acetylcholinesterase | IC50 | = | 295.12 | nM | 6.53 | Experimental pIC50 values for the inhibition of acetylcholinesterase | 10821713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821713 | 10.1021/jm990971t | Acetylcholinesterase | 2 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine