Compound Detail
CHEMBL484705
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Basic Information
| ChEMBL ID | CHEMBL484705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVRVQELTVCNPQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.7
MW (Da)
6.21
ALogP
4
HBA
4
HBD
48.1
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 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Butyrylcholinesterase CHEMBL3403 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 8.8 | nM | 8.06 | Inhibition of rat AChE | 18479118 |
| Butyrylcholinesterase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of rat BuChE | 18479118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 1 |
| 18479118 | 10.1021/jm701253t | Butyrylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine