Compound Detail
CHEMBL610507
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Basic Information
| ChEMBL ID | CHEMBL610507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YISROAXJSWMRDM-HZHRSRAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.3
MW (Da)
4.97
ALogP
3
HBA
0
HBD
29.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.25 | 4.25 | 56700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of horse serum BuChE by modified Ellman's method | 20149667 |
| Acetylcholinesterase | IC50 | = | 56700.0 | nM | 4.25 | Inhibition of electric eel AChE by modified Ellman's method | 20149667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149667 | 10.1016/j.bmc.2010.01.002 | Unchecked | 3 |
| 20149667 | 10.1016/j.bmc.2010.01.002 | No relevant target | 1 |
| 20149667 | 10.1016/j.bmc.2010.01.002 | Acetylcholinesterase | 1 |
| 20149667 | 10.1016/j.bmc.2010.01.002 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine