AZD1678   

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
SMILES / InChI / InChIKey
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)
InChI Key NWSUDJQTTGDPIR-UHFFFAOYSA-N
References
1. Kindon N, Andrews G, Baxter A, Cheshire D, Hemsley P, Johnson T, Liu YZ, McGinnity D, McHale M, Mete A et al.. (2017)
Discovery of AZD-2098 and AZD-1678, Two Potent and Bioavailable CCR4 Receptor Antagonists.
ACS Med Chem Lett, 8 (9): 981-986. [PMID:28947948]