Syk inhibitor II   Click here for help

GtoPdb Ligand ID: 6047

Synonyms: K00592a
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This is compound 3 in [2] and compound 9a in the original article by Hisamichi et al. (2005) [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 118.95
Molecular weight 340.13
XLogP 1.51
No. Lipinski's rules broken 0
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Canonical SMILES NCCNc1ncc(c(n1)Nc1cccc(c1)C(F)(F)F)C(=O)N
Isomeric SMILES NCCNc1ncc(c(n1)Nc1cccc(c1)C(F)(F)F)C(=O)N
InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
Bioactivity Comments
Compound 9a inhibits the passive cutaneous anaphylaxis reaction in mice [4].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
spleen associated tyrosine kinase Primary target of this compound Hs Inhibitor Inhibition 7.4 pIC50 - 4
pIC50 7.4 (IC50 4.1x10-8 M) [4]
zeta chain of T cell receptor associated protein kinase 70 Hs Inhibitor Inhibition 4.9 pIC50 - 4
pIC50 4.9 (IC50 1.12x10-5 M) [4]