CHEMBL12674
SMILES | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 |
InChIKey | WYQUFJJNTIGKQS-DEOSSOPVSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 13 |
Molecular weight (Da) | 470.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.23 | 8.23 | 8.23 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |