CHEMBL361505
SMILES | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 |
InChIKey | GGFAWZQZGYUXOY-IERDGZPVSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 485.1 |
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 |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 9.26 | 9.26 | 9.26 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.54 | 7.86 | 8.18 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.54 | 7.86 | 8.18 | ChEMBL |