CHEMBL573950


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NOC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey XYTDRWRAFKROSX-GRXQJBFDSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 454.2

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
A3 AA3R Human Adenosine A pKi 8.6 8.6 8.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.98 4.98 4.98 ChEMBL
A1 AA1R Human Adenosine A pKi 4.27 4.27 4.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.95 6.95 6.95 ChEMBL