CHEMBL116903


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@H](O)[C@@H]1O
InChIKey GYWXTRVEUURNEW-QDYOZFCWSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 4
Molecular weight (Da) 351.2

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
A2A AA2AR Rat Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.51 8.51 8.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.56 7.56 7.56 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.2 6.2 6.2 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.36 8.36 8.36 ChEMBL