Compound Detail
CHEMBL4848543
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 | CHEMBL4848543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJIZZBSOBHHSCY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
2.64
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.89 | 4.89 | 12910.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.86 | 4.86 | 13720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 1100.0 | nM | 5.96 | Antioxidant activity assessed as hydroxyl radical scavenging activity | 34391893 |
| Acetylcholinesterase | IC50 | = | 12910.0 | nM | 4.89 | Inhibition of electric eel AChE by Ellman's method | 34391893 |
| Cholinesterase | IC50 | = | 13720.0 | nM | 4.86 | Inhibition of equine serum BuChE by Ellman's method | 34391893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34391893 | 10.1016/j.bmcl.2021.128316 | No relevant target | 6 |
| 34391893 | 10.1016/j.bmcl.2021.128316 | Acetylcholinesterase | 1 |
| 34391893 | 10.1016/j.bmcl.2021.128316 | Cholinesterase | 1 |
| 34391893 | 10.1016/j.bmcl.2021.128316 | Unchecked | 1 |
| 34391893 | 10.1016/j.bmcl.2021.128316 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine