Compound Detail
CHEMBL57163
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Basic Information
| ChEMBL ID | CHEMBL57163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKIGXRKDASCJOU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
2.65
ALogP
5
HBA
2
HBD
77.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 0.53 | nM | 9.28 | Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]praz... | 1648138 |
| Adrenergic receptor alpha-1 | Ki | = | 0.53 | nM | 9.28 | Inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor from rat corte... | 15801833 |
| Alpha-1B adrenergic receptor | Ki | = | 2.57 | nM | 8.59 | In vitro binding affinity at human Alpha-1B adrenergic receptor. | 12825930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1648138 | 10.1021/jm00110a014 | Alpha-1A adrenergic receptor | 1 |
| 1648138 | 10.1021/jm00110a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 1648138 | 10.1021/jm00110a014 | Adrenergic receptor alpha-2 | 1 |
| 1648138 | 10.1021/jm00110a014 | Beta-2 adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1A adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1B adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1D adrenergic receptor | 1 |
| 15801833 | 10.1021/jm040870h | Adrenergic receptor alpha-1 | 1 |
| 15801833 | 10.1021/jm040870h | 5-hydroxytryptamine receptor 1A | 1 |
| 15801833 | 10.1021/jm040870h | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine