CHEMBL1256714


SMILES Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
InChIKey XTPOZVLRZZIEBW-SCFUHWHPSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 386.2

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 Rat Adenosine A pKi 6.94 6.94 6.94 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.76 6.76 6.76 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.85 7.85 7.85 ChEMBL
A1 AA1R Human Adenosine A pKi 8.22 8.22 8.22 PDSP Ki database
A3 AA3R Human Adenosine A pKi 7.33 7.33 7.33 PDSP Ki database
A3 AA3R Rat Adenosine A pKi 6.94 6.94 6.94 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 7.85 7.85 7.85 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 6.76 6.76 6.76 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database