Syk inhibitor   Click here for help

GtoPdb Ligand ID: 6046

Synonyms: K00564a | spleen tyrosine kinase inhibitor
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This is compound 2 in [3].
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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 2
Topological polar surface area 102.57
Molecular weight 353.08
XLogP 1.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1Nc2c(C1=Cc1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N
Isomeric SMILES O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N
InChI InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
InChI Key MLKHXLFEYOOYEY-NVNXTCNLSA-N
Bioactivity Comments
This compound inhibits IgE/FcεRI triggered basophil cell degranulation in rat RBL-2H3 basophilic cells [3].
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 7.8 pIC50 - 3
pIC50 7.8 (IC50 1.4x10-8 M) [3]
Description: Assayed using N-Flag tagged catalytic domain of human SYK (Ala340-Asn635)