Compound Detail
CHEMBL4594074
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 | CHEMBL4594074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZTROFGRSNHPQM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
2.46
ALogP
6
HBA
0
HBD
64.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon CHEMBL4961 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate ... | 31158742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31158742 | 10.1016/j.ejmech.2019.05.051 | Acetylcholine receptor subunit epsilon | 1 |
Data from ChEMBL 36 via Core Engine