Compound Detail
CHEMBL492635
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Basic Information
| ChEMBL ID | CHEMBL492635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPLFPBDRBGHRQW-XMTFNYHQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.18
ALogP
6
HBA
1
HBD
83.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.25 | 4.25 | 56300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human plasma BuchE by Ellman's method | 18817366 |
| Acetylcholinesterase | IC50 | = | 56300.0 | nM | 4.25 | Inhibition of electric eel AchE by Ellman's method | 18817366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817366 | 10.1021/jm800564y | Cholinesterase | 2 |
| 18817366 | 10.1021/jm800564y | Acetylcholinesterase | 2 |
| 18817366 | 10.1021/jm800564y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine