Compound Detail
CHEMBL314800
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Basic Information
| ChEMBL ID | CHEMBL314800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBMANHCNJOZOFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
4.09
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrylcholinesterase CHEMBL3403 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.73 | 4.73 | 18580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrylcholinesterase | IC50 | = | 4900.0 | nM | 5.31 | Compound was tested in vitro for inhibitory activity against Butyrylcholinestera... | - |
| Acetylcholinesterase | IC50 | = | 18580.0 | nM | 4.73 | Compound was tested in vitro for inhibitory activity against Acetylcholinesteras... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10025-7 | Acetylcholinesterase | 4 |
| - | 10.1016/S0960-894X(97)10025-7 | Butyrylcholinesterase | 1 |
| - | 10.1016/S0960-894X(97)10025-7 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine