Compound Detail
CHEMBL4861956
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 | CHEMBL4861956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCHSBAPBQXDRKS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.08
ALogP
5
HBA
2
HBD
89.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.92 | 5.92 | 1210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of electric eel AChE by Ellman's method | 34153471 |
| Acetylcholinesterase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of AChE (unknown origin) | 38052155 |
| Cholinesterase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of equine serum BuChE by Ellman's method | 34153471 |
| Amyloid-beta precursor protein | IC50 | = | 1210.0 | nM | 5.92 | Inhibition of self-induced amyloid beta(1 to 42) (unknown origin) aggregation by... | 34153471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34153471 | 10.1016/j.bmcl.2021.128212 | Acetylcholinesterase | 4 |
| 34153471 | 10.1016/j.bmcl.2021.128212 | Cholinesterase | 1 |
| 34153471 | 10.1016/j.bmcl.2021.128212 | Amyloid-beta precursor protein | 1 |
| 34153471 | 10.1016/j.bmcl.2021.128212 | PC-12 | 1 |
| 34153471 | 10.1016/j.bmcl.2021.128212 | BV-2 | 1 |
| 38052155 | 10.1016/j.ejmech.2023.116013 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine