CHEMBL4530266


SMILES CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(-c3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1
InChIKey VBSMKEQICRNWJO-UIOOFZCWSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 18
Molecular weight (Da) 593.3

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
β1 ADRB1 Human Adrenoceptors A pKi 6.32 6.32 6.32 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.41 7.41 7.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 5.44 5.44 5.44 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.77 7.34 7.92 ChEMBL