CHEMBL419787
SMILES | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 |
InChIKey | OGWSIWIZDTYFFO-QZPVIKGESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 13 |
Molecular weight (Da) | 511.2 |
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 | 6.92 | 6.92 | 6.92 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.66 | 6.66 | 6.66 | ChEMBL |