CHEMBL398669


SMILES CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc(C(C)(C)C)c1O
InChIKey GCZXLSYFHULECQ-HYHFPRINSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 8
Molecular weight (Da) 618.3

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
A2B AA2BR Human Adenosine A pKi 5.07 5.07 5.07 ChEMBL
A3 AA3R Human Adenosine A pKi 7.08 7.08 7.08 ChEMBL
A1 AA1R Human Adenosine A pKi 7.5 7.5 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database