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

Sankey plot

Compound is not listed as a drug.

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