CHEMBL4168016


SMILES Nc1nc(NCc2cccs2)nc2sc(-c3cccs3)nc12
InChIKey USNKOSVFZIVLHG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 345.0

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 7.42 7.42 7.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A1 AA1R Human Adenosine A pKi 7.14 7.14 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.26 6.26 6.26 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.75 7.81 7.88 ChEMBL