CHEMBL608207


SMILES CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey ILBCDRCMAKDQGR-CDJKEZFESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 495.1

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 6.82 6.82 6.82 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.32 5.32 5.32 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database