CHEMBL3752431


SMILES Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12
InChIKey KTRATDJORYAFKA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 299.1

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 6.43 6.43 6.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.45 8.45 8.45 ChEMBL
A1 AA1R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 4.87 4.87 4.87 ChEMBL