CHEMBL2113456


SMILES O=C(N/N=N/c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1
InChIKey ZGSFHHDNYUVKNU-CTDWIVFPSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 10
Molecular weight (Da) 609.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.85 6.85 6.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.01 6.01 6.01 ChEMBL
A1 AA1R Human Adenosine A pKi 8.51 8.51 8.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database