CHEMBL304090
| SMILES | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 |
| InChIKey | REYSXKCQMOFODI-NRFANRHFSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 470.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.36 | 6.36 | 6.36 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |