CHEMBL4556466


SMILES O[C@H]1[C@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
InChIKey UZPVEUSTVZGUFZ-OITXHHBMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 423.1

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 Mouse Adenosine A pKi 8.73 8.73 8.73 ChEMBL
A3 AA3R Human Adenosine A pKi 6.34 6.34 6.34 ChEMBL
A1 AA1R Human Adenosine A pKi 7.35 7.35 7.35 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database