CHEMBL2113555


SMILES Nc1nc(N/N=C/C=C/c2ccco2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey WXRDMKRQDSHLPI-RNRNVXBSSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 401.1

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
A2A AA2AR Rat Adenosine A pKi 7.08 7.08 7.08 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.78 5.78 5.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 6.1 6.1 6.1 ChEMBL
A1 AA1R Rat Adenosine A pEC50 5.36 5.36 5.36 ChEMBL