CHEMBL2113458


SMILES COc1ccccc1NC(=O)/N=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey KKKSYRYFEOZRTA-XNIJJKJLSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 6
Molecular weight (Da) 459.2

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
A3 AA3R Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.9 6.9 6.9 ChEMBL
A1 AA1R Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database