CHEMBL1258024


SMILES COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1
InChIKey LBELPNBKSBOXOB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 490.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 6.03 6.03 6.03 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 7.38 7.38 7.38 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 6.35 6.35 6.35 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 7.68 7.68 7.68 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.6 6.6 6.6 ChEMBL