CHEMBL5187478


SMILES COc1cccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChIKey DKXQAUQBUSRNHS-PAXAQNQPSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 471.2

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
A1 AA1R Rat Adenosine A pKi 6.55 6.55 6.55 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.49 6.49 6.49 ChEMBL
A1 AA1R Human Adenosine A pKi 6.67 6.67 6.67 ChEMBL
A1 AA1R Human Adenosine A pKd 6.77 6.77 6.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 5.98 5.98 5.98 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.74 8.74 8.74 ChEMBL