CHEMBL1258940


SMILES CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1
InChIKey FBXVPQASKLUHKP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 517.2

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 6.48 6.48 6.48 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.85 5.85 5.85 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.43 6.43 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pIC50 6.4 6.4 6.4 ChEMBL