CHEMBL2113397


SMILES CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
InChIKey TUNMDANEYFOARS-NSODJVPESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 496.0

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
A3 AA3R Rat Adenosine A pKi 4.14 4.14 4.14 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.47 5.47 5.47 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.18 6.18 6.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database