Compound Detail
CHEMBL523830
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Basic Information
| ChEMBL ID | CHEMBL523830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIWDLVRLOCHGOV-FCGDIQPGSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.30
ALogP
6
HBA
1
HBD
83.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 8.37 | 8.37 | 4.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 4.3 | nM | 8.37 | Inhibition of human plasma BuchE by Ellman's method | 18817366 |
| Cholinesterase | IC50 | = | 4.3 | nM | 8.37 | Inhibition of BuChE in human liver microsomes | 20067290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817366 | 10.1021/jm800564y | Cholinesterase | 4 |
| 18817366 | 10.1021/jm800564y | Acetylcholinesterase | 3 |
| 20067290 | 10.1021/jm9014845 | Unchecked | 3 |
| 18817366 | 10.1021/jm800564y | Unchecked | 2 |
| 20067290 | 10.1021/jm9014845 | Cholinesterase | 2 |
| 18817366 | 10.1021/jm800564y | Plasma | 1 |
Data from ChEMBL 36 via Core Engine