PF-06426779   Click here for help

GtoPdb Ligand ID: 9666

Synonyms: example 189 [WO2015150995] | example 38 [PMID:28498658]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PF-06426779 is an IRAK4 inhibitor. It is claimed as example 189 in Pfizer's patent WO2015150995 [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 2
Rotatable bonds 5
Topological polar surface area 103.54
Molecular weight 347.13
XLogP 1.43
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2c(OCC3NC(=O)C(C3C)F)nccc2cc1C(=O)N
Isomeric SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H]([C@H]3C)F)nccc2cc1C(=O)N
InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1
Bioactivity Comments
PF-06426779 inhibits TLR7/8 agonist R848-induced TNFα production in human peripheral blood mononuclear cells with an IC50 of 12nM [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
interleukin 1 receptor associated kinase 4 Hs Inhibitor Inhibition 9.5 pIC50 - 1
pIC50 9.5 (IC50 3x10-10 M) [1]