CHEMBL5427211


SMILES CCCCC#Cc1nc(NCc2cccc(I)c2)c2nc(-c3ccco3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
InChIKey MFUARYAVCZRFSJ-NDKUEENFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 599.1

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 Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.24 6.24 6.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database