Compound Detail
CHEMBL11833
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Basic Information
| ChEMBL ID | CHEMBL11833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNWULZIBRBDECY-ZANVPECISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
1.79
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.52 | 6.615 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human AChE by Ellmans test | 20684567 |
| Acetylcholinesterase | IC50 | = | 1949.84 | nM | 5.71 | Inhibitory activity against acetylcholinesterase in human erythrocytes | 11141093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141093 | 10.1021/jm000991r | Acetylcholinesterase | 1 |
| 11141093 | 10.1021/jm000991r | Cholinesterase | 1 |
| 20684567 | 10.1021/jm100573q | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine