CHEMBL550037
SMILES | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |
InChIKey | HYQMMFAEGAPILY-FQEVSTJZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 466.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.35 | 6.41 | 6.47 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.22 | 7.22 | 7.22 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.7 | 7.7 | 7.7 | ChEMBL |