CHEMBL48461


SMILES CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
InChIKey QVBLSMSYJSOAOR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 478.1

Drug properties

Molecular type Small molecule
Physiological/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 4.72 4.72 4.72 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.96 4.96 4.96 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.35 5.35 5.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database