Target nature :
CCR5
CAS n° :
G274-0349 Supplier chemdivSCR (ChemDiv, Inc.)
Mecanism of action :
first non peptide agonist
Physico-chemical properties :
en chantier
Probe availability :
chemdivSCR (ChemDiv, Inc.) / Laboratoire UMR 7200 CNRS université de Strasbourg, esther Kellenberger
Princeps reference :
Kellenberger, E., Springael, JY, Parmentier, M., Hachet-Haas, M., Galzi, J.L., Rognan, D. (2007) Identification of CCR5 non-peptide agonists using structure-base virtual screening. J. Med. Chem. 50, 1294-1303.
More bibliography :
none
Other available information on the probe :
found by in silico screening
Other information on the target :
CCR5 is a target of HIV
Selectivity profile :
not done
In vivo data :
not evaluated. Mice die in a few minutes
In vitro data :
en chantier
Toxicity :
very high
Chaine SMILES :
Cc5ccc(CN4CCC(CNC(=O)C3CCN(c2ccc(c1cccs1)nn2)CC3)C4)cc5
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