CHEMBL4593181


SMILES COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
InChIKey ZIKVQVRMNFIOLA-QFIPXVFZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 467.2

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
β1 ADRB1 Mouse Adrenoceptors A pKi 8.19 8.19 8.19 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.14 8.14 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 5.0 5.32 5.6 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 4.9 5.3 5.7 ChEMBL