Compound Detail
CHEMBL139819
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Basic Information
| ChEMBL ID | CHEMBL139819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCZAEYNRTVFBFH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.8
MW (Da)
4.86
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.93 | 7.93 | 11.7 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 7.79 | 7.79 | 16.2 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.48 | 6.48 | 331.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 11.7 | nM | 7.93 | Inhibition of acetylcholinesterase isolated from Human erythrocytes. | 11101357 |
| Acetylcholinesterase | IC50 | = | 16.2 | nM | 7.79 | Compound was evaluated for the inhibition of acetylcholinesterase of bovine eryt... | 11101357 |
| Cholinesterase | IC50 | = | 331.0 | nM | 6.48 | Inhibition of butyrylcholinesterase (BChE) in human serum | 11101357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101357 | 10.1021/jm000980y | Unchecked | 3 |
| 11101357 | 10.1021/jm000980y | Acetylcholinesterase | 2 |
| 11101357 | 10.1021/jm000980y | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine