CHEMBL1258596


SMILES CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1
InChIKey NDJLTYJJCSTDDO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 488.2

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 6.97 6.97 6.97 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.33 6.33 6.33 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.06 7.06 7.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pIC50 5.09 5.09 5.09 ChEMBL