Compound Detail
CHEMBL40268
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Basic Information
| ChEMBL ID | CHEMBL40268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBSPPLWHVUCFSB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
171.2
MW (Da)
0.74
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 120.0 | nM | 6.92 | Binding of [3H]clonidine to alpha-2-adrenergic receptor of rat cerebral cortical... | 10780918 |
| Adrenergic receptor alpha-1 | Ki | = | 16000.0 | nM | 4.8 | Binding of [3H]prazosin to alpha-1 adrenergic receptor of rat cerebral cortical ... | 10780918 |
| Beta-1 adrenergic receptor | Ki | = | 19000.0 | nM | 4.72 | Binding of [3H]dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral c... | 10780918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 3 |
| 10780918 | 10.1021/jm990599h | Adrenergic receptor alpha-1 | 1 |
| 10780918 | 10.1021/jm990599h | Adrenergic receptor alpha-2 | 1 |
| 10780918 | 10.1021/jm990599h | Beta-1 adrenergic receptor | 1 |
| 10780918 | 10.1021/jm990599h | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine