dilmapimod   Click here for help

GtoPdb Ligand ID: 7815

Synonyms: SB-681323
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This is Example 64 in patent EP1333833 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 99.75
Molecular weight 456.14
XLogP 4.06
No. Lipinski's rules broken 0
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Canonical SMILES OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO
Isomeric SMILES OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO
InChI InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase 14 Primary target of this compound Hs Inhibitor Inhibition >5.0 pIC50 - 1
pIC50 >5.0 (IC50 <1x10-5 M) [1]