CHEMBL2326842


SMILES Nc1nc(N/N=C/c2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey CFRIPBAEDXQEHL-KFFALWPESA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 419.1

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
A2A AA2AR Rat Adenosine A pKi 7.79 7.79 7.79 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.97 6.97 6.97 ChEMBL
A3 AA3R Human Adenosine A pKi 7.14 7.14 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Guinea pig Adenosine A pEC50 4.85 4.85 4.85 ChEMBL
A2A AA2AR Human Adenosine A pEC50 6.31 6.31 6.31 ChEMBL