CHEMBL4172818


SMILES Nc1nc(NCc2cnccn2)nc2sc(-c3ccco3)nc12
InChIKey NHUDWRIFKGAOEZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 325.1

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
A3 AA3R Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.29 8.29 8.29 ChEMBL
A1 AA1R Human Adenosine A pKi 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.88 7.88 7.88 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.95 8.02 8.08 ChEMBL