CHEMBL2070507


SMILES Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O
InChIKey CGYRWWMWNACLSU-AEISUSGSSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 334.1

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 7.06 7.06 7.06 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.31 7.31 7.31 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.76 7.17 7.37 ChEMBL
A3 AA3R Human Adenosine A pKi 7.15 7.32 7.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.47 7.47 7.47 ChEMBL
A1 AA1R Human Adenosine A pKi 8.26 8.26 8.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.48 4.48 4.48 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.57 7.57 7.57 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.82 7.82 7.82 ChEMBL