CHEMBL1258372


SMILES Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12
InChIKey QXTKUULGJYJUIB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 398.2

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 6.82 6.82 6.82 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.35 6.35 6.35 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.15 8.15 8.15 ChEMBL