CHEMBL603812


SMILES CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4cccnc4)nc32)[C@H](O)[C@@H]1O
InChIKey BFIXXJPTBZXBSK-FRLFKWGPSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 409.2

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
A2A AA2AR Rat Adenosine A pKi 6.63 6.63 6.63 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 6.31 6.31 6.31 ChEMBL
A1 AA1R Rat Adenosine A pEC50 6.38 6.38 6.38 ChEMBL