CHEMBL73220
| SMILES | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 |
| InChIKey | RADSZQZWYHKGEG-KGLIPLIRSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 364.1 |
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 |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.45 | 5.45 | 5.45 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 5.56 | 5.56 | 5.56 | ChEMBL |