CHEMBL1258373


SMILES Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12
InChIKey UUQDFZFJDFMLHW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 414.2

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 5.86 5.86 5.86 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.46 5.46 5.46 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.58 5.58 5.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.7 7.7 7.7 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.19 7.19 7.19 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.26 5.26 5.26 ChEMBL