CHEMBL210309


SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
InChIKey JBLUMBNIBNHRSO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 413.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations β1 β2 β3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Rat Adrenoceptors A pKd 9.5 10.04 10.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database