CHEMBL186271
SMILES | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 |
InChIKey | MHZUEPXBTVAPLN-JPYJTQIMSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 12 |
Molecular weight (Da) | 617.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 9.19 | 9.19 | 9.19 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.31 | 8.12 | 8.92 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.31 | 8.12 | 8.92 | ChEMBL |