CHEMBL4556017
SMILES | CC(C)NC[C@@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@H](O)CNC(C)C |
InChIKey | DVVZHJCUNXOYDW-LOYHVIPDSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 6 |
Rotatable bonds | 23 |
Molecular weight (Da) | 614.4 |
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 | 5.35 | 5.35 | 5.35 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.67 | 6.67 | 6.67 | ChEMBL |