Ligand Data

Ligand

id 98550
Name CHEMBL272761
SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNC(=O)NCCN(C(C)C)C4CCCC4)nc32)[C@H](O)[C@@H]1O
InChIKey BAYRBZWUZCNUSW-DEGFIOCKSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 15
Molecular weight 713.4


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
A2A AA2AR Human Adenosine A (Rhodopsin) 6.0 6.0 6.0