Compound Detail
CHEMBL575621
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Basic Information
| ChEMBL ID | CHEMBL575621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOUVPLOZMHLJPB-OKILXGFUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.5
MW (Da)
3.94
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.34 | 6.34 | 458.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.33 | 6.33 | 463.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of electric eel AChE by Ellman's method | 19493592 |
| Acetylcholinesterase | IC50 | = | 458.0 | nM | 6.34 | Inhibition of human serum AChE by Ellman's assay | 19493592 |
| Acetylcholinesterase | IC50 | = | 463.0 | nM | 6.33 | Inhibition of Wistar rat brain homogenate AChE by Ellman's assay | 19493592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19493592 | 10.1016/j.ejmech.2009.04.042 | Rattus norvegicus | 4 |
| 19493592 | 10.1016/j.ejmech.2009.04.042 | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine