CHEMBL4162638


SMILES Nc1nc(NCCc2cccnc2)nc2sc(-c3ccco3)nc12
InChIKey XFDJFLKGEUUOAG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 338.1

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
A1 AA1R Human Adenosine A pKi 8.58 8.58 8.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.62 9.62 9.62 ChEMBL
A3 AA3R Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 9.46 9.5 9.54 ChEMBL
A2B AA2BR Human Adenosine A pIC50 8.38 8.38 8.38 ChEMBL