Compound Detail
CHEMBL30419
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Basic Information
| ChEMBL ID | CHEMBL30419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJPDFKRYOKWXMQ-WBVHZDCISA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.5
MW (Da)
2.42
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 8.5 | 8.22 | 3.2 | 3 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.2 | 6.6267 | 63.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 3.162 | nM | 8.5 | Antagonistic activity against alpha-2 adrenergic receptor in rat vas deferens | 2838634 |
| Adrenergic receptor alpha-2 | Kd | = | 8.318 | nM | 8.08 | Antagonistic activity against alpha-2 adrenergic receptor in rat vas deferens | 2838634 |
| Adrenergic receptor alpha-2 | Kd | = | 8.318 | nM | 8.08 | Antagonism of rat alpha-2 adrenergic receptor from rat vas deferens | 2562854 |
| Adrenergic receptor alpha-1 | Kd | = | 63.1 | nM | 7.2 | Antagonistic activity against alpha-1 adrenergic receptor in rat vas deferens | 2838634 |
| Adrenergic receptor alpha-1 | Kd | = | 457.09 | nM | 6.34 | Antagonistic activity against alpha-1 adrenergic receptor in isolated rat anococ... | 2838634 |
| Adrenergic receptor alpha-1 | Kd | = | 457.09 | nM | 6.34 | Antagonist activity against alpha-1 adrenergic receptor of rat anococcygeus musc... | 2562854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2838634 | 10.1021/jm00402a029 | Adrenergic receptor alpha-2 | 2 |
| 2838634 | 10.1021/jm00402a029 | Adrenergic receptor alpha-1 | 2 |
| 2838634 | 10.1021/jm00402a029 | Adrenergic receptor alpha | 1 |
| 2562854 | 10.1021/jm00121a033 | Adrenergic receptor alpha-2 | 1 |
| 2562854 | 10.1021/jm00121a033 | Adrenergic receptor alpha-1 | 1 |
| 2562854 | 10.1021/jm00121a033 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine