CHEMBL530556
SMILES | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 |
InChIKey | PGFSLUFAZXXCPT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 446.3 |
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 | 5.31 | 5.31 | 5.31 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.14 | 5.14 | 5.14 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.23 | 5.23 | 5.23 | ChEMBL |