Compound Detail
CHEMBL4162692
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 | CHEMBL4162692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZMOKFTXANCHGF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.9
MW (Da)
5.60
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.24 | 5.24 | 5775.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 5775.0 | nM | 5.24 | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pre... | 29324339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29324339 | 10.1016/j.ejmech.2017.12.084 | Acetylcholinesterase | 1 |
| 29324339 | 10.1016/j.ejmech.2017.12.084 | Cholinesterase | 1 |
| 29324339 | 10.1016/j.ejmech.2017.12.084 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine