CHEMBL5186757


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey QOIMBUAYNDJPGJ-CPIJZORTSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 427.2

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 pKi 6.6 6.6 6.6 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.7 6.7 6.7 ChEMBL
A1 AA1R Human Adenosine A pKi 6.84 6.84 6.84 ChEMBL
A1 AA1R Human Adenosine A pKd 6.97 6.97 6.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.9 4.9 4.9 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.78 5.78 5.78 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.98 8.98 8.98 ChEMBL