CHEMBL4533718


SMILES OC[C@H]1O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H](O)[C@@H]1O
InChIKey VQFKOPZALUTGKJ-BGIGGGFGSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 389.2

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 9.43 9.43 9.43 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.05 6.05 6.05 ChEMBL
A3 AA3R Human Adenosine A pKi 4.97 4.97 4.97 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.45 5.45 5.45 ChEMBL
A1 AA1R Human Adenosine A pKi 8.67 8.67 8.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 9.85 9.85 9.85 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.68 7.12 7.55 ChEMBL