CHEMBL12939
SMILES | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 |
InChIKey | FRGRDUPCTIFEFM-MHZLTWQESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 17 |
Molecular weight (Da) | 585.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |