bupranolol
| SMILES | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C |
| InChIKey | HQIRNZOQPUAHHV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 271.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.3 | 8.15 | 9.0 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.3 | 9.1 | 9.9 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.8 | 7.05 | 7.3 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pA2 | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |