CHEMBL4472564
| SMILES | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C |
| InChIKey | BVXCEGVHLHLJKG-ACHIHNKUSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 25 |
| Molecular weight (Da) | 642.4 |
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 |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.74 | 6.74 | 6.74 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.95 | 7.95 | 7.95 | ChEMBL |