Compound Detail
CHEMBL488590
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Basic Information
| ChEMBL ID | CHEMBL488590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXPIHMLIHBJICH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.53
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.27 | 7.27 | 53.5 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.38 | 6.38 | 416.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 53.5 | nM | 7.27 | Inhibition of human recombinant AChE by Ellman's assay | 18954037 |
| Cholinesterase | IC50 | = | 416.0 | nM | 6.38 | Inhibition of human serum BChE by Ellman's assay | 18954037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18954037 | 10.1021/jm8009684 | Acetylcholinesterase | 2 |
| 18954037 | 10.1021/jm8009684 | Cholinesterase | 1 |
| 18954037 | 10.1021/jm8009684 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine