CHEMBL2113526


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(/C=C/c4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey YCPVNMWILFLDCL-QBSSPZKCSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 410.2

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
A2A AA2AR Rat Adenosine A pKi 6.63 6.63 6.63 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.93 6.93 6.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 6.71 6.71 6.71 ChEMBL
A1 AA1R Rat Adenosine A pEC50 6.38 6.38 6.38 ChEMBL