CHEMBL490405


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 431.1

Drug properties

Molecular type Small molecule
Endogenous/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 8.8 8.8 8.8 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.58 5.58 5.58 ChEMBL
A1 AA1R Human Adenosine A pKi 5.52 5.52 5.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database