CHEMBL3771208


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey XSVRBMOJKPAIJX-NKYRPOHVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 441.2

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 Rat Adenosine A pKd 6.4 6.4 6.4 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.41 6.41 6.41 ChEMBL
A1 AA1R Human Adenosine A pKi 5.03 6.08 6.93 ChEMBL
A1 AA1R Human Adenosine A pKd 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 4.95 4.95 4.95 ChEMBL
A1 AA1R Human Adenosine A pIC50 9.17 9.17 9.17 ChEMBL
A1 AA1R Human Adenosine A pEC50 5.8 7.12 8.43 ChEMBL