Compound Detail
CHEMBL312935
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Basic Information
| ChEMBL ID | CHEMBL312935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEGGEEOOQSWUJE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
2.82
ALogP
6
HBA
1
HBD
66.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.8
Ki 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 3.162 | nM | 8.5 | In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrener... | 9276013 |
| Alpha-1D adrenergic receptor | Kd | = | 15.85 | nM | 7.8 | Antagonistic activity against rat aorta for affinity estimates representative of... | 9276013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276013 | 10.1021/jm970166j | Alpha-1A adrenergic receptor | 2 |
| 9276013 | 10.1021/jm970166j | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine