CHEMBL2326828


SMILES COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
InChIKey UKEASMXMANFUQZ-DXALFEDPSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 415.2

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
A2A AA2AR Rat Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.18 7.18 7.18 ChEMBL
A3 AA3R Human Adenosine A pKi 6.95 6.95 6.95 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
A1 AA1R Human Adenosine A pKi 6.14 6.14 6.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 5.87 5.87 5.87 ChEMBL
A1 AA1R Guinea pig Adenosine A pEC50 4.64 4.64 4.64 ChEMBL