CHEMBL4564189


SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C
InChIKey PUWIYASNLCNTSN-KYJUHHDHSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 22
Molecular weight (Da) 586.4

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
β1 ADRB1 Human Adrenoceptors A pKi 8.4 8.4 8.4 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.42 9.42 9.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 7.84 7.84 7.84 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.75 8.78 8.8 ChEMBL