CHEMBL4079314


SMILES Cc1cc(C)cc(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](Cn5nc(C)cc5C)[C@@H](O)[C@H]4O)c3n2)c1
InChIKey JTOBORUICCTILQ-WBMMKZCBSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 517.3

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 6.25 6.25 6.25 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.23 5.23 5.23 ChEMBL
A1 AA1R Human Adenosine A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 5.71 5.71 5.71 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.24 6.24 6.24 ChEMBL