CHEMBL4435895
SMILES | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 |
InChIKey | IZWFJOLNDDLZBU-ZDUSSCGKSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 349.2 |
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 |
β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.1 | 6.38 | 6.52 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 4.9 | 5.73 | 6.2 | ChEMBL |