CHEMBL549487
| SMILES | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |
| InChIKey | QDJYLFKDOGVOFV-QFIPXVFZSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 499.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.34 | 6.49 | 6.64 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.16 | 7.16 | 7.16 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.7 | 7.7 | 7.7 | ChEMBL |