CHEMBL1851849
| SMILES | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 |
| InChIKey | PQRKOYDRQCGDTO-SANMLTNESA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 17 |
| Molecular weight (Da) | 513.3 |
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 |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 8.6 | 8.6 | 8.6 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.6 | 8.6 | 8.6 | ChEMBL |