CHEMBL184407
SMILES | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 |
InChIKey | ATOBZBFTPJRCNY-IERDGZPVSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 549.1 |
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 | 8.4 | 8.4 | 8.4 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.32 | 7.32 | 7.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 9.68 | 9.68 | 9.68 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.36 | 7.49 | 7.75 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.36 | 7.62 | 7.75 | ChEMBL |