CHEMBL279391


SMILES O=C(CCc1ccccc1)Nc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey OTQUGDYVSBJTMY-UGTJMOTHSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 482.2

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 5.9 5.9 5.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.25 5.25 5.25 ChEMBL
A1 AA1R Human Adenosine A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database