Ligand Data

Ligand

id 93624
Name CHEMBL261453
SMILES CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC(C4=CC=CC=C4)O
InChIKey JBOIOQGHPYQVRR-SXOQPLQPSA-N
Type small molecule
External Links

Structure

Properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight 411.4


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
A2B aa2br_human Human Adenosine receptors Class A (Rhodopsin) 2600.0 2600.0 2600.0