CHEMBL1852565
| SMILES | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |
| InChIKey | CEZJVTMLAXZREH-MHZLTWQESA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 18 |
| Molecular weight (Da) | 501.3 |
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 |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.9 | 7.9 | 7.9 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.3 | 9.3 | 9.3 | ChEMBL |