CHEMBL4442559


SMILES CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1
InChIKey PHFZQGRUKYLCQX-KYJUHHDHSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 20
Molecular weight (Da) 621.4

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
β2 ADRB2 Human Adrenoceptors A pKi 7.81 7.81 7.81 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.08 7.08 7.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pIC50 7.19 7.7 8.2 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 6.31 6.31 6.31 ChEMBL