CHEMBL400013


SMILES Cc1ccc(Nc2nc(-n3cc(CO)cn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
InChIKey FFXMREHKIUCCAM-WVSUBDOOSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 453.2

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 7.03 7.03 7.03 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.63 5.63 5.63 ChEMBL
A1 AA1R Human Adenosine A pKi 7.13 7.13 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database