CHEMBL1257438


SMILES Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O
InChIKey RWNXJFJPPKGVJT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 492.2

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 6.03 6.03 6.03 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.07 5.07 5.07 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.06 6.06 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.92 8.92 8.92 ChEMBL