CHEMBL5186981


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey VKBVKOURJLIITC-CPIJZORTSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 461.1

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 6.58 6.58 6.58 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.22 6.22 6.22 ChEMBL
A1 AA1R Human Adenosine A pKd 6.22 6.22 6.22 ChEMBL
A1 AA1R Human Adenosine A pKi 6.23 6.23 6.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.88 6.88 6.88 ChEMBL
A2A AA2AR Human Adenosine A pEC50 4.86 4.86 4.86 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.19 8.19 8.19 ChEMBL