CHEMBL2024114


SMILES Nc1nnc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2)n1
InChIKey ZHUZHTHIEMXLRA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 298.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 3UZC 5OM1 5OLZ 5OM4

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKd 9.6 9.91 10.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.4 8.55 8.85 ChEMBL
A1 AA1R Human Adenosine A pKi 9.79 9.79 9.79 ChEMBL
A1 AA1R Human Adenosine A pKd 9.28 9.28 9.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database