CHEMBL374462


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NOC)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O
InChIKey PJCIYBMNOHBKGY-KSVNGYGVSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 439.2

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 8.8 8.8 8.8 ChEMBL
A1 AA1R Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.19 5.19 5.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database