CHEMBL1927442


SMILES Nc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2nc(-c3ccco3)nn12
InChIKey OVELLJQEKSXRSC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 438.1

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 5.9 5.9 5.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.41 7.41 7.41 ChEMBL
A1 AA1R Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database