Compound Detail
CHEMBL143290
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Basic Information
| ChEMBL ID | CHEMBL143290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKJPXDDMWQSODY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
4.09
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 8.61 | 8.61 | 2.4 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.02 | 6.02 | 963.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2.2 | nM | 8.66 | Inhibition of acetylcholinesterase isolated from Human erythrocytes. | 11101357 |
| Acetylcholinesterase | IC50 | = | 2.43 | nM | 8.61 | Compound was evaluated for the inhibition of acetylcholinesterase of bovine eryt... | 11101357 |
| Cholinesterase | IC50 | = | 963.0 | nM | 6.02 | Inhibition of butyrylcholinesterase (BChE) in human serum | 11101357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101357 | 10.1021/jm000980y | Acetylcholinesterase | 2 |
| 11101357 | 10.1021/jm000980y | Unchecked | 2 |
| 11101357 | 10.1021/jm000980y | Cholinesterase | 1 |
| 11101357 | 10.1021/jm000980y | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine