CHEMBL426738


SMILES Nc1nc(N2CCN3CCC[C@@H]3C2)cc2nc(-c3ccco3)nn12
InChIKey DBVSAWLRBJEGLH-LLVKDONJSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 325.2

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
A2A AA2AR Rat Adenosine A pKi 7.2 7.2 7.2 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.96 5.96 5.97 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.2 7.2 7.2 ChEMBL
A1 AA1R Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database