CHEMBL4095344


SMILES Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(NC5CC6CCC5C6)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey AXUXZTJPDQPAER-VNLDLUEJSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 439.2

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 5.26 5.26 5.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.71 4.71 4.71 ChEMBL
A1 AA1R Human Adenosine A pKi 7.59 7.59 7.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database