CHEMBL1877326


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)ncnc32)[C@H](O)[C@@H]1O
InChIKey YKPCEENRZZBDMC-XSMNFLGNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 361.2

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
A1 AA1R Mouse Adenosine A pKi 9.85 9.85 9.85 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.37 6.37 6.37 ChEMBL
A3 AA3R Rat Adenosine A pKi 6.55 6.55 6.55 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A1 AA1R Rat Adenosine A pKi 9.47 9.47 9.47 ChEMBL
A3 AA3R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
A1 AA1R Human Adenosine A pKi 9.42 9.42 9.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database