CHEMBL5419573


SMILES Nc1nc(NCCc2ccc(O)cc2)nc2c1nc(-c1cccs1)n2[C@@H]1SC[C@@H](O)[C@H]1O
InChIKey XRKKJGGYJHRJNY-OWDMVUQNSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 470.1

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
A2B AA2BR Human Adenosine A pKi 6.22 6.22 6.22 ChEMBL
A3 AA3R Human Adenosine A pKi 5.52 5.52 5.52 ChEMBL
A1 AA1R Human Adenosine A pKi 5.09 5.09 5.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database