CHEMBL2113688


SMILES OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc21
InChIKey UXZDLFVKDODWSF-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 425.0

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
A3 AA3R Rat Adenosine A pKi 4.6 4.6 4.6 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.72 4.72 4.72 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.86 4.86 4.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database