Compound Detail
CHEMBL462846
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 | CHEMBL462846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEXJEKNXTSHUSJ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
209.7
MW (Da)
1.29
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.64
EC50 1 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.64 | 10.64 | 0.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | EC50 | 8.94 | 8.94 | 1.2 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.023 | nM | 10.64 | Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex | 18938077 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 0.2 | nM | 9.7 | Displacement of [3H]-Epibatidine from human aplha3beta4 nAChR expressed in HEK29... | 26383127 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 1.16 | nM | 8.94 | Agonist activity at alpha4beta2 nAChR in Sprague-Dawley rat striatal slices asse... | 26383127 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 4.1 | nM | 8.39 | Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex | 18938077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26383127 | 10.1016/j.ejmech.2015.09.006 | Unchecked | 2 |
| 26383127 | 10.1016/j.ejmech.2015.09.006 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 18938077 | 10.1016/j.bmcl.2008.10.002 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 18938077 | 10.1016/j.bmcl.2008.10.002 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 18938077 | 10.1016/j.bmcl.2008.10.002 | Unchecked | 1 |
| 26383127 | 10.1016/j.ejmech.2015.09.006 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine