CHEMBL2113445


SMILES Nc1nc(/N=N/NC(=O)Nc2ccccc2Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey UMPGTQBXBGFYFB-SDBHATRESA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 5
Molecular weight (Da) 463.1

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 6.75 6.75 6.75 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.35 7.35 7.35 ChEMBL
A1 AA1R Human Adenosine A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database