CHEMBL66859
SMILES | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 |
InChIKey | TYQULXNTIHTDSG-KRWDZBQOSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 510.1 |
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 | 7.37 | 7.37 | 7.37 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.33 | 6.33 | 6.33 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |