CHEMBL3414938


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey XLNLUOHNKKMJIG-QRIDJOKKSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 347.1

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 Rat Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A3 AA3R Human Adenosine A pKi 9.32 9.32 9.32 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A1 AA1R Human Adenosine A pKi 8.45 8.45 8.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.83 5.83 5.83 ChEMBL
A3 AA3R Human Adenosine A pEC50 8.2 8.2 8.2 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.77 5.77 5.77 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.01 7.01 7.01 ChEMBL