CHEMBL2070508


SMILES Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O
InChIKey ISNMLOJARGEFLK-BQVMBELUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 348.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
oxoglutarate OXGR1 Rat Oxoglutarate A pKi 7.31 7.31 7.31 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.21 6.21 6.21 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.31 5.84 6.11 ChEMBL
A3 AA3R Human Adenosine A pKi 7.15 7.27 7.5 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.19 6.19 6.19 ChEMBL
A1 AA1R Human Adenosine A pKi 7.57 7.57 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.27 4.27 4.27 ChEMBL
A2A AA2AR Human Adenosine A pEC50 6.65 6.65 6.65 ChEMBL