CHEMBL1235128


SMILES CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey UQGKLARJCHZHSS-QRIDJOKKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 322.1

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
oxoglutarate OXGR1 Rat Oxoglutarate A pKi 7.51 7.51 7.51 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.4 5.74 5.91 ChEMBL
A3 AA3R Human Adenosine A pKi 7.3 7.32 7.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A1 AA1R Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.54 4.54 4.54 ChEMBL