CHEMBL4754809


SMILES CCOC(=O)C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C(=O)OCC
InChIKey XKHWMHNUWYFWPL-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 427.2

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
A3 AA3R Human Adenosine A pKi 7.79 7.79 7.79 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
A1 AA1R Human Adenosine A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database