CHEMBL1257555


SMILES OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O
InChIKey KYYMUHCVQBBYFP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 506.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pKi 8.14 8.14 8.14 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.85 7.85 7.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 10.7 10.7 10.7 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.46 8.46 8.46 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.65 5.65 5.65 ChEMBL