Compound Detail
CHEMBL492283
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Basic Information
| ChEMBL ID | CHEMBL492283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYZLBYYWOFEUSZ-XMTFNYHQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
1.70
ALogP
7
HBA
1
HBD
96.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 7.24 | 7.24 | 57.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 57.0 | nM | 7.24 | Inhibition of human plasma BuchE by Ellman's method | 18817366 |
| Cholinesterase | IC50 | = | 57.0 | nM | 7.24 | Inhibition of BuChE in human liver microsomes | 20067290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817366 | 10.1021/jm800564y | Cholinesterase | 2 |
| 20067290 | 10.1021/jm9014845 | Cholinesterase | 2 |
| 18817366 | 10.1021/jm800564y | Acetylcholinesterase | 1 |
| 18817366 | 10.1021/jm800564y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine