CHEMBL4097343


SMILES Cc1cc(C)cc(-c2nc(NC3CC4CCC3C4)c3ncn([C@@H]4O[C@H](Cn5nc(C)cc5C)[C@@H](O)[C@H]4O)c3n2)c1
InChIKey DYGLUVUVCNVFNM-JWMPSBNMSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 543.3

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 6.18 6.18 6.18 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.98 4.98 4.98 ChEMBL
A1 AA1R Human Adenosine A pKi 7.23 7.23 7.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database