CHEMBL2348201


SMILES O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1
InChIKey IMCUOTHFJIPMIY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 491.2

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 5.22 5.22 5.22 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 8.21 8.52 8.83 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 5.69 5.89 6.1 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 8.52 8.52 8.52 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.0 5.0 5.0 ChEMBL