Compound Detail
CHEMBL576005
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Basic Information
| ChEMBL ID | CHEMBL576005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDRNIFSBRLCSCZ-OCAPTIKFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
191.3
MW (Da)
1.21
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 75.0 | nM | 7.12 | Inhibition of human serum AChE by Ellman's assay | 19493592 |
| Acetylcholinesterase | IC50 | = | 85.0 | nM | 7.07 | Inhibition of Wistar rat brain homogenate AChE by Ellman's assay | 19493592 |
| Acetylcholinesterase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of electric eel AChE by Ellman's method | 19493592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19493592 | 10.1016/j.ejmech.2009.04.042 | Rattus norvegicus | 5 |
| 19493592 | 10.1016/j.ejmech.2009.04.042 | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine