CHEMBL2113094


SMILES N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2cncn2)c1
InChIKey IDBKPZKIXIAOMU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 346.1

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 7.8 7.8 7.8 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.45 5.45 5.45 ChEMBL
A1 AA1R Human Adenosine A pKi 5.68 5.68 5.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database