CHEMBL437923


SMILES COc1ccc(Cl)cc1CNc1nc(Cl)nc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O
InChIKey LJLMHEFJMXWPHX-CKUKBARFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 441.0

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 7.9 7.9 7.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database