Compound Detail
CHEMBL55647
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Basic Information
| ChEMBL ID | CHEMBL55647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRIJKAXXNHPPNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
2.43
ALogP
6
HBA
0
HBD
87.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.95 | 7.95 | 11.3 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 7.81 | 7.81 | 15.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.27 | nM | 7.95 | Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H... | 15055991 |
| Alpha-1D adrenergic receptor | Ki | = | 15.34 | nM | 7.81 | Binding affinity to the adrenergic receptor alpha-1D of rat aorta | 15055991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055991 | 10.1021/jm030944+ | Alpha-1A adrenergic receptor | 1 |
| 15055991 | 10.1021/jm030944+ | Alpha-1B adrenergic receptor | 1 |
| 15055991 | 10.1021/jm030944+ | Alpha-1D adrenergic receptor | 1 |
| 15055991 | 10.1021/jm030944+ | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine