CHEMBL1257676


SMILES CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey NVFFYNVUDNEFQT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 504.2

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 7.52 7.52 7.52 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.63 6.63 6.63 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.15 8.15 8.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.66 8.66 8.66 ChEMBL