Ligand Data

Ligand

id 75052
Name CHEMBL2024114
SMILES Nc1nnc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2)n1
InChIKey ZHUZHTHIEMXLRA-UHFFFAOYSA-N
Type small-molecule
External Links
Structure pdb 3UZC 5OM1 5OM4 5OLZ

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight 298.1


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
A2A AA2AR Human Adenosine A (Rhodopsin) 0.0 1.1 4.0
A1 AA1R Human Adenosine A (Rhodopsin) 0.5 0.5 0.5