CHEMBL2113559


SMILES COc1cc(/C=C/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O
InChIKey GUWMTHIBQGCCPK-MUKMMEJISA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 7
Molecular weight (Da) 457.2

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
A2A AA2AR Rat Adenosine A pKi 7.57 7.57 7.57 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 6.55 6.55 6.55 ChEMBL
A1 AA1R Rat Adenosine A pEC50 5.31 5.31 5.31 ChEMBL