propranolol
| SMILES | OC(COc1cccc2c1cccc2)CNC(C)C |
| InChIKey | AQHHHDLHHXJYJD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 259.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 5.83 | 5.83 | 5.83 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pEC50 | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 6.22 | 6.47 | 7.74 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pKB | 6.5 | 6.6 | 6.7 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Rat | Leukotriene | A | pA2 | 6.8 | 7.25 | 7.7 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 6.36 | 6.36 | 6.36 | ChEMBL |