Compound Detail
CHEMBL591470
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Basic Information
| ChEMBL ID | CHEMBL591470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUMVWMVTRVLHEJ-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
1.62
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of human AChE by modified Ellman's spectrophotometric method | 20189400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20189400 | 10.1016/j.bmc.2010.01.063 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine