CHEMBL427077


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NOC)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey ONKUERGTTKQFGY-KSVNGYGVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 442.1

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
A3 AA3R Human Adenosine A pKi 8.72 8.72 8.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.73 4.73 4.73 ChEMBL
A1 AA1R Human Adenosine A pKi 5.52 5.52 5.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.68 6.68 6.68 ChEMBL