Compound Detail
CHEMBL169956
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 | CHEMBL169956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQZNLSCRKAWAGI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.5
MW (Da)
5.51
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.65 | 6.65 | 225.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.25 | 5.25 | 5650.0 | 1 |
| Adrenergic receptor beta CHEMBL2095166 | Ki | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 225.0 | nM | 6.65 | Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal t... | 2539480 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 5650.0 | nM | 5.25 | Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal memb... | 2539480 |
| Adrenergic receptor beta | Ki | = | 8300.0 | nM | 5.08 | Inhibitory activity against beta adrenergic receptor of rat frontal cortex homog... | 2539480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2539480 | 10.1021/jm00124a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 2539480 | 10.1021/jm00124a021 | 5-hydroxytryptamine receptor 1B | 1 |
| 2539480 | 10.1021/jm00124a021 | Adrenergic receptor beta | 1 |
Data from ChEMBL 36 via Core Engine