Compound Detail
CHEMBL484306
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Basic Information
| ChEMBL ID | CHEMBL484306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSAKEKKNQBBHNE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.7
MW (Da)
6.14
ALogP
6
HBA
2
HBD
72.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of human serum BChE by Ellman's assay | 18517184 |
| Acetylcholinesterase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of bovine erythrocyte AChE by Ellman's assay | 18517184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18517184 | 10.1021/jm8001313 | Acetylcholinesterase | 1 |
| 18517184 | 10.1021/jm8001313 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine