CHEMBL573269


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 426.1

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 Human Adenosine A pKi 9.37 9.37 9.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.9 4.9 4.9 ChEMBL
A1 AA1R Human Adenosine A pKi 5.28 5.28 5.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.72 6.72 6.72 ChEMBL