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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 3UZC 5OLZ 5OM1 5OM4

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 8.4 8.62 8.85 ChEMBL
A2A AA2AR Human Adenosine A pKd 9.6 9.91 10.39 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