CHEMBL251555
SMILES | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O |
InChIKey | GRSIQKKNSPHJED-RTWAWAEBSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 4 |
Rotatable bonds | 15 |
Molecular weight (Da) | 586.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |