Compound Detail
CHEMBL30979
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Basic Information
| ChEMBL ID | CHEMBL30979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDBOKVMUFJGYDC-CTNGQTDRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.62
ALogP
4
HBA
0
HBD
53.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 8.46 | 8.46 | 3.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 6.84 | 6.84 | 144.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 3.467 | nM | 8.46 | Antagonistic activity against alpha-2 adrenergic receptor in rat vas deferens | 2838634 |
| Adrenergic receptor alpha-1 | Kd | = | 144.54 | nM | 6.84 | Antagonistic activity against alpha-1 adrenergic receptor in isolated rat anococ... | 2838634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2838634 | 10.1021/jm00402a029 | Adrenergic receptor alpha-2 | 1 |
| 2838634 | 10.1021/jm00402a029 | Adrenergic receptor alpha-1 | 1 |
| 2838634 | 10.1021/jm00402a029 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine