CHEMBL2113436


SMILES CC(C)(C)NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey KUXMPOBZULLNDF-QRIDJOKKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Molecular weight (Da) 336.2

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
oxoglutarate OXGR1 Rat Oxoglutarate A pKi 5.16 5.16 5.16 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.16 5.36 5.56 ChEMBL
A3 AA3R Human Adenosine A pKi 5.07 5.07 5.07 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.87 5.87 5.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database