CHEMBL2348219


SMILES O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1
InChIKey AEISDSYQXOEKFX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 473.3

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 pKd 8.13 8.34 8.55 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 5.45 5.64 5.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 5.0 5.0 5.0 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.44 8.44 8.44 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.0 5.0 5.0 ChEMBL