CHEMBL549960
SMILES | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 |
InChIKey | XQNVMXFHTVYCPE-QFIPXVFZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 547.1 |
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 | 6.24 | 6.29 | 6.33 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.16 | 7.16 | 7.16 | ChEMBL |