Compound Detail
CHEMBL294311
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 | CHEMBL294311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRJRAPCSCQSPBH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
224.7
MW (Da)
1.21
ALogP
3
HBA
1
HBD
34.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 2.512 | nM | 8.6 | In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylc... | 12747776 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 4.0 | nM | 8.4 | Change in membrane potential in K-177 cells expressing acetylcholine central neu... | 15686946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 2 |
| 12747776 | 10.1021/jm020859m | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine