Compound Detail
CHEMBL361298
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 | CHEMBL361298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZQKWOHBHFFOKX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
222.7
MW (Da)
2.59
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 9.33 | 9.33 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.47 | nM | 9.33 | Inhibition of [3H]cytisine binding to Nicotinic acetylcholine receptor alpha4-be... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.bmcl.2004.08.026 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| - | 10.1016/j.bmcl.2004.08.026 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine