CHEMBL3980049


SMILES Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(-c3ccco3)nc12
InChIKey KLLJKZAKUJQFQR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
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
A3 AA3R Human Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
A1 AA1R Human Adenosine A pKi 7.41 7.41 7.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.75 7.75 7.75 ChEMBL