CHEMBL4162037


SMILES COc1ccccc1CNc1nc(N)c2nc(-c3cccs3)sc2n1
InChIKey VRCYNPYVXJBCSE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 369.1

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 7.76 7.76 7.76 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.65 8.65 8.65 ChEMBL
A3 AA3R Human Adenosine A pKi 6.56 6.56 6.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.34 5.34 5.34 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.36 8.41 8.47 ChEMBL