ZK 756326   Click here for help

GtoPdb Ligand ID: 813

Synonyms: ZK-756326 | ZK756326
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: ZK 756326 is a selective, non-peptide CCR8 agonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 45.17
Molecular weight 356.21
XLogP 2
No. Lipinski's rules broken 0
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Canonical SMILES OCCOCCN1CCN(CC1)Cc1cccc(c1)Oc1ccccc1
Isomeric SMILES OCCOCCN1CCN(CC1)Cc1cccc(c1)Oc1ccccc1
InChI InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CCR8 Hs Agonist Full agonist 5.7 pIC50 - 1
pIC50 5.7 [1]