Compound Detail
CHEMBL57859
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Basic Information
| ChEMBL ID | CHEMBL57859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEWRBUTUYATDFG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
3.00
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 9.43 | 9.43 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.63 | 8.63 | 2.3 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.26 | 7.26 | 54.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 0.37 | nM | 9.43 | Binding affinity to the adrenergic receptor alpha-1D of rat aorta | 15055991 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.33 | nM | 8.63 | Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H... | 15055991 |
| Alpha-1A adrenergic receptor | Ki | = | 54.43 | nM | 7.26 | In vitro binding affinity towards alpha-1A adrenergic receptor through displacem... | 15055991 |
| Alpha-1B adrenergic receptor | Ki | = | 54.99 | nM | 7.26 | Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spl... | 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