CHEMBL72169


SMILES C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1
InChIKey BVBIXDIVUVDTEU-CABCVRRESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 378.2

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 6.12 6.12 6.12 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 6.2 6.2 6.2 ChEMBL