CHEMBL188196
SMILES | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 |
InChIKey | WATLMDUSELNTHD-IERDGZPVSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 12 |
Molecular weight (Da) | 529.1 |
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 | 7.77 | 7.77 | 7.77 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.77 | 8.77 | 8.77 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.75 | 7.23 | 7.72 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 6.75 | 7.23 | 7.72 | ChEMBL |