Compound Detail
CHEMBL2112713
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Basic Information
| ChEMBL ID | CHEMBL2112713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYFUCNGARHQDEH-PARSUAIFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
2.40
ALogP
7
HBA
2
HBD
78.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.47 | 7.385 | 33.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 33.88 | nM | 7.47 | Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from human 5-hydroxyt... | 10514291 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 50.12 | nM | 7.3 | 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