Compound Detail
CHEMBL345905
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Basic Information
| ChEMBL ID | CHEMBL345905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPVUQMXHSAOCEZ-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.77
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 7.7 | nM | 8.11 | Inhibition of acetylcholinesterase activity | 1738152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1738152 | 10.1021/jm00081a023 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine