Compound Detail
CHEMBL134240
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Basic Information
| ChEMBL ID | CHEMBL134240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRBPMDZHWBDEGY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
234.7
MW (Da)
2.80
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.01 | 5.005 | 9810.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 9810.0 | nM | 5.01 | In vitro inhibition of acetylcholinesterase isolated from human erythrocytes. | - |
| Acetylcholinesterase | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against human erythrocyte acetylcholinesterase | 15317459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80267-X | Acetylcholinesterase | 1 |
| 15317459 | 10.1021/jm049877p | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine