Compound Detail
CHEMBL142491
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Basic Information
| ChEMBL ID | CHEMBL142491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUVOGCOVFCKQFT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
4.34
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 8.49 | 8.09 | 3.2 | 3 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.53 | 7.53 | 29.5 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3.2 | nM | 8.49 | Compound was evaluated for the inhibition of acetylcholinesterase activity from ... | 11101357 |
| Acetylcholinesterase | IC50 | = | 3.58 | nM | 8.45 | Compound was evaluated for the inhibition of acetylcholinesterase activity from ... | 11101357 |
| Acetylcholinesterase | IC50 | = | 29.5 | nM | 7.53 | Inhibition of acetylcholinesterase isolated from Human erythrocytes. | 11101357 |
| Acetylcholinesterase | IC50 | = | 46.4 | nM | 7.33 | Compound was evaluated for the inhibition of acetylcholinesterase of bovine eryt... | 11101357 |
| Cholinesterase | IC50 | = | 109.0 | nM | 6.96 | Inhibition of butyrylcholinesterase (BChE) in human serum | 11101357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101357 | 10.1021/jm000980y | Acetylcholinesterase | 5 |
| 11101357 | 10.1021/jm000980y | Unchecked | 3 |
| 11101357 | 10.1021/jm000980y | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine