CHEMBL223328


SMILES CONc1nc(C#Cc2cccnc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey XQAKVNKMDSEKNH-XKLVTHTNSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 398.1

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
A1 AA1R Human Adenosine A pKi 6.59 6.59 6.59 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.9 4.9 4.9 ChEMBL
A3 AA3R Human Adenosine A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database