CHEMBL556689
SMILES | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |
InChIKey | KRBIUXNCRRMNHF-QHCPKHFHSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 429.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 4.48 | 5.37 | 6.26 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.85 | 7.05 | 7.25 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |