CHEMBL2113434


SMILES CONC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey FCAHXBLMILKKQK-QMWPFBOUSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 310.1

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
oxoglutarate OXGR1 Rat Oxoglutarate A pKi 7.24 7.24 7.24 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.21 6.21 6.21 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.71 5.75 5.79 ChEMBL
A3 AA3R Human Adenosine A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.35 4.35 4.35 ChEMBL