CHEMBL1096754


SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1
InChIKey QFBYVTZHJZITCY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 329.1

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
A3 AA3R Human Adenosine A pKi 9.22 9.22 9.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.14 6.14 6.14 ChEMBL
A1 AA1R Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.3 7.3 7.3 ChEMBL
A3 AA3R Human Adenosine A pIC50 8.72 8.93 9.13 ChEMBL