CHEMBL4105044


SMILES Cc1cc(C)cc(-c2nc(Nc3ccc(Cl)cc3F)c3ncn([C@@H]4O[C@H](Cn5nc(C)cc5C)[C@@H](O)[C@H]4O)c3n2)c1
InChIKey QKIBRDGEKNXZLL-UQCYUJMQSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 577.2

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 6.2 6.2 6.2 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.37 5.37 5.37 ChEMBL
A1 AA1R Human Adenosine A pKi 7.04 7.04 7.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database