Compound Detail
CHEMBL47471
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Basic Information
| ChEMBL ID | CHEMBL47471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXBCZLBBXQSAMW-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
3.06
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.0
Ki 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.0 | 7.0 | 100.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.5 | 6.5 | 316.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 100.0 | nM | 7.0 | Presynaptic antagonistic activity against alpha-1 adrenergic receptor from rat, ... | 6139479 |
| Alpha-2A adrenergic receptor | Ki | = | 120.0 | nM | 6.92 | Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139479 |
| Adrenergic receptor alpha-2 | Kd | = | 316.23 | nM | 6.5 | Presynaptic antagonistic activity against alpha-2 adrenergic receptor from rat, ... | 6139479 |
| Alpha-1A adrenergic receptor | Ki | = | 700.0 | nM | 6.16 | Binding activity against alpha-1 adrenergic receptor from calf cerebral cortex, ... | 6139479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6139479 | 10.1021/jm00366a007 | Adrenergic receptor alpha-2 | 2 |
| 6139479 | 10.1021/jm00366a007 | Alpha-2A adrenergic receptor | 1 |
| 6139479 | 10.1021/jm00366a007 | Alpha-1A adrenergic receptor | 1 |
| 6139479 | 10.1021/jm00366a007 | Adrenergic receptor alpha-1 | 1 |
| 6139479 | 10.1021/jm00366a007 | Cerebral cortex alpha adrenergic receptor | 1 |
| 6139479 | 10.1021/jm00366a007 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine