Compound Detail
CHEMBL321582
BUCINDOLOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL321582 |
| Name | BUCINDOLOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FBMYKMYQHCBIGU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names
2
Mechanisms
Molecular Properties
363.5
MW (Da)
3.39
ALogP
4
HBA
3
HBD
81.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Beta-1 adrenergic receptor antagonist | ANTAGONIST | Beta-1 adrenergic receptor | ✓ | ✓ |
| Beta-2 adrenergic receptor antagonist | ANTAGONIST | Beta-2 adrenergic receptor | ✓ | ✓ |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15011.9 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.57 | 4.57 | 27200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | IC50 | = | 50.0 | nM | 7.3 | Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after... | 15993593 |
| Unchecked | IC50 | = | 15011.9 | nM | 4.82 | PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... | - |
| Solute carrier family 22 member 1 | IC50 | = | 27200.0 | nM | 4.57 | Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT... | 18788725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| 6102605 | 10.1021/jm00177a015 | Rattus norvegicus | 3 |
| 18788725 | 10.1021/jm8003152 | Solute carrier family 22 member 1 | 2 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| 6102605 | 10.1021/jm00177a015 | Adrenergic receptor beta | 1 |
| 15993593 | 10.1016/j.bmcl.2005.06.007 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine