CHEMBL2348218


SMILES O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1
InChIKey QBHWFJABBIHHGB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 16
Molecular weight (Da) 527.2

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
β3 ADRB3 Human Adrenoceptors A pKd 5.58 5.58 5.58 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 8.5 8.75 9.0 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 5.91 5.98 6.05 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 8.64 8.64 8.64 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.0 5.0 5.0 ChEMBL