AZD5069   Click here for help

GtoPdb Ligand ID: 8948

Synonyms: AZD-5069
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AZD5069 is a novel, selective antagonist of the chemokine receptor, CXCR2. The structure shown here was drawn from that in [6], which specifies stereochemistry. This structure is identical to Example 47 in patent US7838675 [1]. PubChem records the structure with no specified stereochemistry (CID 59558839).
Small-molecule antagonists of CXCR2 are being developed for their potential to treat inflammatory conditions.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 158.56
Molecular weight 476.1
XLogP 1.73
No. Lipinski's rules broken 0
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Canonical SMILES OCC(C(Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O
Isomeric SMILES OC[C@@H]([C@H](Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O
InChI InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand AZD5069
Other databases
GtoPdb PubChem SID 310264729
PubChem CID 56645576
Search Google for chemical match using the InChIKey QZECRCLSIGFCIO-RISCZKNCSA-N
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UniChem Compound Search for chemical match using the InChIKey QZECRCLSIGFCIO-RISCZKNCSA-N
UniChem Connectivity Search for chemical match using the InChIKey QZECRCLSIGFCIO-RISCZKNCSA-N