Compound Detail
CHEMBL5272095
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Basic Information
| ChEMBL ID | CHEMBL5272095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKQXQSZQKROBLG-HKWRFOASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.78
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.26 | 6.26 | 545.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 545.0 | nM | 6.26 | Inhibition of AChE (unknown origin) | 33271454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33271454 | 10.1016/j.bmc.2020.115895 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine