CHEMBL308860
SMILES | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 |
InChIKey | XGBKDGIMRVZUCW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 6 |
Rotatable bonds | 13 |
Molecular weight (Da) | 644.3 |
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 | 8.0 | 8.0 | 8.0 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |