CHEMBL4593181
SMILES | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 |
InChIKey | ZIKVQVRMNFIOLA-QFIPXVFZSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 4 |
Rotatable bonds | 14 |
Molecular weight (Da) | 467.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.32 | 5.6 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 4.9 | 5.3 | 5.7 | ChEMBL |