CHEMBL186236
SMILES | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 |
InChIKey | WKBLQNSAOBQMPB-PIKZIKFNSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 14 |
Molecular weight (Da) | 683.1 |
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 | 8.92 | 8.92 | 8.92 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.24 | 7.24 | 7.24 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.14 | 8.14 | 8.14 | ChEMBL |