Compound Detail
CHEMBL2112711
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Basic Information
| ChEMBL ID | CHEMBL2112711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEWHQFCTRYPEDT-CYCYRBNMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
2.40
ALogP
6
HBA
2
HBD
69.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.61 | 7.59 | 24.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 24.55 | nM | 7.61 | Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from human 5-hydroxyt... | 10514291 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 26.92 | nM | 7.57 | Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from human 5-hydroxyt... | 10514291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514291 | 10.1021/jm991065j | Alpha-1A adrenergic receptor | 2 |
| 10514291 | 10.1021/jm991065j | Alpha-1B adrenergic receptor | 2 |
| 10514291 | 10.1021/jm991065j | Alpha-1D adrenergic receptor | 2 |
| 10514291 | 10.1021/jm991065j | 5-hydroxytryptamine receptor 1A | 2 |
Data from ChEMBL 36 via Core Engine