CHEMBL1258598


SMILES OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O
InChIKey FGTXRWDPSVWTOR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 430.2

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 6.17 6.17 6.17 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.3 5.3 5.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.77 8.77 8.77 ChEMBL