Compound Detail
CHEMBL228303
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL228303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHWHEVBNJSELJL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
5.43
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 4.97 | 4.97 | 10790.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.83 | 4.83 | 14780.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 85920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 10790.0 | nM | 4.97 | Inhibition of human BChE by Ellman's method | 17681794 |
| Acetylcholinesterase | IC50 | = | 14780.0 | nM | 4.83 | Inhibition of Electrophorus electricus AChE by Ellman's method | 17681794 |
| Unchecked | IC50 | = | 85920.0 | nM | 4.07 | Inhibition of beta amyloid protein 1-42 aggregation by thioflavin T assay | 17681794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17681794 | 10.1016/j.bmc.2007.07.003 | Acetylcholinesterase | 3 |
| 17681794 | 10.1016/j.bmc.2007.07.003 | Unchecked | 2 |
| 17681794 | 10.1016/j.bmc.2007.07.003 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine