CHEMBL2113687


SMILES CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
InChIKey NZJYPBRWWQVBBD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 411.0

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 Rat Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.79 5.79 5.79 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.72 5.72 5.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database