Compound Detail
CHEMBL574974
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Basic Information
| ChEMBL ID | CHEMBL574974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQUSYPKQXVWTEX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.9
MW (Da)
6.00
ALogP
3
HBA
1
HBD
73.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.86 | 7.86 | 13.7 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.08 | 6.08 | 824.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 13.7 | nM | 7.86 | Inhibition of human recombinant AChE in erythrocytes by Ellman's assay | 19473849 |
| Cholinesterase | IC50 | = | 824.0 | nM | 6.08 | Inhibition of human recombinant BuChE by Ellman's assay | 19473849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19473849 | 10.1016/j.bmc.2009.05.005 | Acetylcholinesterase | 1 |
| 19473849 | 10.1016/j.bmc.2009.05.005 | Cholinesterase | 1 |
| 19473849 | 10.1016/j.bmc.2009.05.005 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine