Compound Detail
CHEMBL168224
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Basic Information
| ChEMBL ID | CHEMBL168224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPXILBCDKVWPAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
2.03
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3000.0 | nM | 5.52 | Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal t... | 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