CHEMBL137950


SMILES O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12
InChIKey PARJXHXDPQTXJY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 498.1

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 5.77 5.77 5.77 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.98 5.98 5.98 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
A3 AA3R Human Adenosine A pKi 5.1 7.58 8.1 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.96 6.98 6.98 ChEMBL
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database