Compound Detail
CHEMBL39745
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Basic Information
| ChEMBL ID | CHEMBL39745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHLAUUIEUCVQRV-AUUYWEPGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.90
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.94 | 7.94 | 11.5 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.46 | 6.46 | 346.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 11.48 | nM | 7.94 | Ex vivo alpha-1-adrenoceptor blocking activity by antagonism of (-)-norepinephri... | 8098772 |
| Adrenergic receptor alpha-2 | Kd | = | 346.74 | nM | 6.46 | Tested for the alpha-2-adrenoceptor blocking activity by antagonism of clonidine... | 8098772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8098772 | 10.1021/jm00063a002 | Adrenergic receptor alpha-1 | 1 |
| 8098772 | 10.1021/jm00063a002 | Adrenergic receptor alpha-2 | 1 |
| 8098772 | 10.1021/jm00063a002 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine