Compound Detail
CHEMBL126939
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Basic Information
| ChEMBL ID | CHEMBL126939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNARRZNSRNXCPB-ZHACJKMWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.75
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.68 | 6.68 | 208.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 209.89 | nM | 6.68 | Inhibition against Acetylcholinesterase (AChE) | 8558505 |
| Acetylcholinesterase | IC50 | = | 210.0 | nM | 6.68 | Inhibition of AChE | 20053484 |
| Acetylcholinesterase | IC50 | = | 208.93 | nM | 6.68 | Inhibition of human acetylcholinesterase | 21074294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558505 | 10.1021/jm950704x | Acetylcholinesterase | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
| 21074294 | 10.1016/j.ejmech.2010.10.009 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine