CHEMBL574597


SMILES CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey QPMWMOJXQPUBBF-BGIGGGFGSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 381.1

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 Human Adenosine A pKi 8.47 8.47 8.47 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.07 5.07 5.07 ChEMBL
A1 AA1R Human Adenosine A pKi 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.0 4.0 4.0 ChEMBL
A3 AA3R Human Adenosine A pEC50 6.54 6.54 6.54 ChEMBL