Ligand Data

Ligand

id 3618
Name tozadenant
SMILES COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1
InChIKey XNBRWUQWSKXMPW-UHFFFAOYSA-N
Type small-molecule
External Links
Structure pdb 5OLO

Structure

Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight 406.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
A2B AA2BR Human Adenosine A (Rhodopsin) 700 2850 5000
A3 AA3R Human Adenosine A (Rhodopsin) 5000 5000 5000
A2A AA2AR Human Adenosine A (Rhodopsin) 0.3 5.7 11.0
A1 AA1R Human Adenosine A (Rhodopsin) 1350 2168 3380