CHEMBL1257204


SMILES O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1
InChIKey KJRJFCYUWPYYSW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 573.2

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 pKi 6.83 6.83 6.83 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.54 5.54 5.54 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.87 6.87 6.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.26 7.26 7.26 ChEMBL