Molecule Details
| InChIKey | UUOJIACWOAYWEZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bopindolol |
| Canonical SMILES | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.8 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08807 |
|---|---|
| Drug Name | Bopindolol |
| CAS Number | 62658-63-3 |
| Groups | experimental |
| ATC Codes | C07AA17 C07CA17 |
| Description | Bopindolol (INN) is an ester prodrug for the beta blocker [pindolol]. |
Categories: Adrenergic Agents Adrenergic Antagonists Adrenergic beta-Antagonists Agents causing hyperkalemia Alcohols Amines Amino Alcohols Beta Blocking Agents, Non-Selective Bradycardia-Causing Agents Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Neurotransmitter Agents Phenoxypropanolamines Propanolamines Propanols
Cross-references: ChEBI: 143782 CHEMBL357995 ChemSpider: 40146 D07537 PharmGKB: PA165958425 PubChem:44112 PubChem:99445277 RxCUI: 19605 Wikipedia: Bopindolol
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL |
| P13945 | ADRB3 | Homo sapiens | Human | PF00001 | 6.4 | IC50 | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P07550 | ADRB2 | Beta-2 adrenergic receptor | antagonist | targets |
| P08588 | ADRB1 | Beta-1 adrenergic receptor | antagonist | targets |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | binder | targets |
| P28222 | HTR1B | 5-hydroxytryptamine receptor 1B | binder | targets |
| P13945 | ADRB3 | Beta-3 adrenergic receptor | modulator | targets |
| P07550 | ADRB2 | Beta-2 adrenergic receptor | partial agonist | targets |
| P08588 | ADRB1 | Beta-1 adrenergic receptor | partial agonist | targets |