CHEMBL4462252


SMILES CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1
InChIKey QOXJTXGLPUKWGZ-ACHIHNKUSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 22
Molecular weight (Da) 649.4

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
β1 ADRB1 Human Adrenoceptors A pKi 8.54 8.54 8.54 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.05 9.05 9.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 7.71 7.71 7.71 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.33 8.51 8.69 ChEMBL