Compound Detail
CHEMBL3338392
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Basic Information
| ChEMBL ID | CHEMBL3338392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALZPDJDXIYQUHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
4.81
ALogP
6
HBA
0
HBD
54.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 1360.0 | nM | 5.87 | Inhibition of recombinant human BChE by Ellman method | 25226236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25226236 | 10.1021/jm501195e | Cholinesterase | 3 |
| 25226236 | 10.1021/jm501195e | Amyloid-beta precursor protein | 1 |
| 25226236 | 10.1021/jm501195e | Unchecked | 1 |
| 25226236 | 10.1021/jm501195e | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine