Compound Detail
CHEMBL449716
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 | CHEMBL449716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLGZVZSKPWANIB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
1.50
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane | 18644719 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 1600.0 | nM | 5.8 | Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membr... | 18644719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18644719 | 10.1016/j.bmcl.2008.07.016 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 18644719 | 10.1016/j.bmcl.2008.07.016 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 18644719 | 10.1016/j.bmcl.2008.07.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine