Compound Detail
CHEMBL610796
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Basic Information
| ChEMBL ID | CHEMBL610796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNOVHRIKWCZABV-SRTPWMEPSA-M |
| Parent Compound | CHEMBL32329 |
| Active Moiety | CHEMBL32329 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
5.46
ALogP
2
HBA
0
HBD
25.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 5.56 | 5.56 | 2780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of electric eel AChE by modified Ellman's method | 20149667 |
| Cholinesterase | IC50 | = | 2780.0 | nM | 5.56 | Inhibition of horse serum BuChE by modified Ellman's method | 20149667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149667 | 10.1016/j.bmc.2010.01.002 | Unchecked | 2 |
| 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