CHEMBL265587


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey YDKMYXRWFMGMSJ-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 6
Molecular weight (Da) 506.1

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 8.01 8.01 8.01 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.93 5.93 5.93 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.34 6.34 6.34 ChEMBL
A3 AA3R Human Adenosine A pKi 7.83 7.83 7.83 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.02 7.02 7.02 ChEMBL
A1 AA1R Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.09 7.09 7.09 ChEMBL