Compound Detail
CHEMBL319797
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Basic Information
| ChEMBL ID | CHEMBL319797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBDDCNMJHZAVIF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
4.35
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 490.0 | nM | 6.31 | Inhibition of acetylcholinesterase from rat striatal tissue | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80765-4 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine