Compound Detail
CHEMBL5179810
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 | CHEMBL5179810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNJAZXJXBGGURX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
505.7
MW (Da)
4.72
ALogP
7
HBA
2
HBD
90.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon CHEMBL2484 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon | IC50 | = | 2.291 | nM | 8.64 | Inhibition of human AChE by Ellman's method | 35026532 |
| Acetylcholinesterase | IC50 | = | 86.0 | nM | 7.07 | Inhibition of electric eel AChE by Ellman's method | 35026532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35026532 | 10.1016/j.ejmech.2021.114098 | Amyloid-beta precursor protein | 2 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | Acetylcholinesterase | 1 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | Unchecked | 1 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | Acetylcholine receptor subunit epsilon | 1 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine