Compound Detail
CHEMBL2164666
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 | CHEMBL2164666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XADIAGJQJVHXBU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.79
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.03 | nM | 10.52 | Displacement of [3H]epibatidine from rat cerebral cortex alpha4beta2* nAChR incu... | 22742586 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.03 | nM | 10.52 | Inhibition Assay: The Ki values for the inhibition of [3H]epibatidine binding at... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22742586 | 10.1021/jm300575y | Mus musculus | 6 |
| 22742586 | 10.1021/jm300575y | Neuronal acetylcholine receptor subunit alpha-7 | 3 |
| 22742586 | 10.1021/jm300575y | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 22742586 | 10.1021/jm300575y | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 22742586 | 10.1021/jm300575y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine