CHEMBL522434


SMILES COc1ccc(O)c(CNc2nc(Cl)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)c1
InChIKey DVJBTFRGRNLCBG-WUFOEMFESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 417.1

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
A3 AA3R Human Adenosine A pKi 8.39 8.39 8.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.16 5.16 5.16 ChEMBL
A1 AA1R Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database