CHEMBL1257675


SMILES COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O
InChIKey HPTKHKFFMSMJTM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 520.2

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 9.0 9.0 9.0 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.32 6.32 6.32 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.31 8.31 8.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 10.4 10.4 10.4 ChEMBL