Ligand Data

Ligand

id 80060
Name CHEMBL2113580
SMILES CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O
InChIKey VCPIKIQUZLARFA-DNZQAUTHSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight 409.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
A2A AA2AR Human Adenosine A (Rhodopsin) 7500 7500 7500