CHEMBL32521
| SMILES | CCCCN(CC(=O)O)C(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 |
| InChIKey | CEJFDSQRZVQERZ-VWLOTQADSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 562.2 |
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 | 7.44 | 7.44 | 7.44 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 4.98 | 4.98 | 4.98 | ChEMBL |