CHEMBL111090


SMILES C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1
InChIKey SJVFSIQHUZNKAD-RPPGKUMJSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 444.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 B0FL73 Guinea pig Adrenoceptors A pKd 5.83 5.83 5.84 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKd 4.8 4.8 4.8 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 5.4 5.4 5.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database