CHEMBL252198


SMILES OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey XEAJNSCYKKKRRS-KWGHVAAJSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 371.1

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 Bovine Adenosine A pKi 5.33 7.05 8.77 ChEMBL
A3 AA3R Human Adenosine A pKi 4.46 4.46 4.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.34 5.34 5.34 ChEMBL
A1 AA1R Human Adenosine A pKi 8.73 8.73 8.73 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database