Compound Detail
CHEMBL257126
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL257126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AULWYSXUAMRNQI-JQIJEIRASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
5.24
ALogP
5
HBA
3
HBD
83.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 8.36 | 8.36 | 4.4 | 2 |
| Butyrylcholinesterase CHEMBL5077 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4.4 | nM | 8.36 | Inhibition of electric eel AchE by Ellman's assay | 18406135 |
| Acetylcholinesterase | IC50 | = | 4.4 | nM | 8.36 | Inhibition of electric eel AChE by Ellman's method | 22472693 |
| Butyrylcholinesterase | IC50 | = | 6.7 | nM | 8.17 | Inhibition of equine BChE by Ellman's assay | 18406135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18406135 | 10.1016/j.bmcl.2008.03.073 | Acetylcholinesterase | 1 |
| 18406135 | 10.1016/j.bmcl.2008.03.073 | Butyrylcholinesterase | 1 |
| 18406135 | 10.1016/j.bmcl.2008.03.073 | NON-PROTEIN TARGET | 1 |
| 22472693 | 10.1016/j.bmcl.2012.03.046 | Acetylcholinesterase | 1 |
| 22472693 | 10.1016/j.bmcl.2012.03.046 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine