GtoPdb Ligand ID: 9679

Synonyms: AZD-1678 | compound 49 [PMID: 28947948]
Compound class: Synthetic organic
Comment: AZD1678 is a potent and bioavailable aminopyrazine sulfonamide CCR4 receptor antagonist discovered in a high-throughput screening/synthesis campaign [1]
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 89.56
Molecular weight 350.96
XLogP 3.08
No. Lipinski's rules broken 0
Canonical SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(c1Cl)Cl
Isomeric SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(c1Cl)Cl
InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
Bioactivity Comments
AZD1678 inhibits CCR4-mediated chemotaxis in response to the endogenous CCR4 agonists CCL22 and CCL17. AZD1678 is devoid of agonist activity up to a concentration of 10 μM [1].
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CCR4 Mm Antagonist Antagonist 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
CCR4 Rn Antagonist Antagonist 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
CCR4 Hs Antagonist Antagonist 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.5x10-9 M) [1]
CCR4 Clf Antagonist Antagonist 8.5 pIC50 - 1
pIC50 8.5 (IC50 3.16x10-9 M) [1]