AZD2098   Click here for help

GtoPdb Ligand ID: 9678

Synonyms: AZD-2098 | compound 47 [PMID: 28947948]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AZD2098 is a potent and bioavailable aminopyrazine sulfonamide CCR4 receptor antagonist discovered in a high-throughput screening/synthesis campaign [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 89.56
Molecular weight 332.97
XLogP 2.83
No. Lipinski's rules broken 0
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Canonical SMILES COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl
Isomeric SMILES COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl
InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AZD-2098 | compound 47 [PMID: 28947948]
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Specialist databases
GPCRdb Ligand AZD2098
Other databases
GtoPdb PubChem SID 348353637
PubChem CID 10308720
Search Google for chemical match using the InChIKey FLSMVCMSUNISFK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FLSMVCMSUNISFK
UniChem Compound Search for chemical match using the InChIKey FLSMVCMSUNISFK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FLSMVCMSUNISFK-UHFFFAOYSA-N

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AZD 2098 (links to external site)
Cat. No. 6541