CHEMBL562669
SMILES | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 |
InChIKey | PQTZELIXLXRZKD-QFIPXVFZSA-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 |
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 | 6.35 | 6.67 | 7.0 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |