CHEMBL2112385


SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIKey DRUWRKDQVHKKLD-LLVKDONJSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 456.1

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 7.73 7.73 7.73 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.31 7.31 7.31 ChEMBL
A3 AA3R Human Adenosine A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database