CHEMBL2113271


SMILES N=C(N)Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey RDUQRAUYJHCRJD-NVQRDWNXSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 7
Rotatable bonds 7
Molecular weight (Da) 468.2

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 7.05 7.05 7.05 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.56 6.56 6.56 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