CHEMBL1258486


SMILES OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1
InChIKey XLYXYLPVZZDCFZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 384.2

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 6.95 6.95 6.95 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.14 7.14 7.14 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.72 6.72 6.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.82 7.82 7.82 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.3 8.3 8.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.06 6.06 6.06 ChEMBL