Compound Detail
CHEMBL189797
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Basic Information
| ChEMBL ID | CHEMBL189797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGPXTGFJHPRGJU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.44
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.79 | 5.79 | 1610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1610.0 | nM | 5.79 | Inhibition of AChE | 20053484 |
| Acetylcholinesterase | IC50 | = | 1610.0 | nM | 5.79 | Inhibition of acetylcholinesterase (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974596 | 10.1021/jm049515h | Acetylcholinesterase | 2 |
| 15974596 | 10.1021/jm049515h | Cholinesterase | 1 |
| 15974596 | 10.1021/jm049515h | Cholinesterases; ACHE & BCHE | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
| - | 10.1007/s00044-010-9373-7 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine