CHEMBL49758


SMILES O=C(Nc1nc(Cl)nc2c1ncn2C1CCCO1)c1cccc(I)c1
InChIKey WWCCJWBRUDTAGJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 469.0

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 5.46 5.46 5.46 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.38 5.38 5.38 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.76 6.76 6.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database