CHEMBL22355


SMILES Nc1nc2c(cnn2CCCc2ccc3c(c2)O[C@H](C(=O)O)O3)c2nc(-c3ccco3)nn12
InChIKey AFOOOKGSRGDTCL-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 447.1

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
A1 AA1R Human Adenosine A pKi 5.44 5.44 5.44 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.23 7.23 7.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database