L-748337
| SMILES | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 |
| InChIKey | AWIONHVPTYTSHZ-DEOSSOPVSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 497.2 |
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 | 8.0 | 8.2 | 8.4 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKB | 9.2 | 9.35 | 9.5 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.05 | 6.05 | 6.05 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 4.63 | 4.63 | 4.63 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.92 | 7.92 | 7.92 | ChEMBL |