CHEMBL519809


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Molecular weight (Da) 294.1

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
A3 AA3R Rat Adenosine A pKi 7.14 7.17 7.2 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.48 6.83 7.17 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.17 6.46 7.08 ChEMBL
A3 AA3R Human Adenosine A pKi 7.61 7.9 8.19 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.33 6.33 6.33 ChEMBL
A1 AA1R Human Adenosine A pKi 7.43 7.43 7.43 ChEMBL
oxoglutarate OXGR1 Rat Oxoglutarate A pKi 7.29 7.29 7.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 6.98 6.98 6.98 ChEMBL
A2B AA2BR Human Adenosine A pEC50 4.35 4.35 4.35 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.42 7.42 7.42 ChEMBL