CHEMBL529659
SMILES | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 |
InChIKey | DJTFHPYTDCJUNI-VWLOTQADSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 475.2 |
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 | 10.46 | 10.46 | 10.46 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.41 | 7.41 | 7.41 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.96 | 5.96 | 5.96 | ChEMBL |