Detailed information for compound 426173

Basic information

Technical information
  • TDR Targets ID: 426173
  • Name: N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)e thylideneamino]-2-methyl-5-nitrobenzenesulfon amide
  • MW: 452.282 | Formula: C16H14BrN5O4S
  • H donors: 1 H acceptors: 5 LogP: 3.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2n(c1)c(cn2)/C(=N/NS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])/C
  • InChi: 1S/C16H14BrN5O4S/c1-10-3-5-13(22(23)24)7-15(10)27(25,26)20-19-11(2)14-8-18-16-6-4-12(17)9-21(14)16/h3-9,20H,1-2H3/b19-11+
  • InChiKey: DQSIBNADZDTJLK-YBFXNURJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitro-benzenesulfonamide
  • N-[(E)-1-(6-bromo-3-imidazo[1,2-a]pyridinyl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus PI3-kinase p110-alpha subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127444 All targets in OG5_127444
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma japonicum ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica phosphatidylinositol 3-kinase, putative PI3-kinase p110-alpha subunit   1068 aa 927 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0065 0.1565 0.1798
Brugia malayi nuclear hormone receptor 0.0065 0.1565 0.3261
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0057 0.1128 0.5
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.3654 0.8209
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0081 0.2424 0.5294
Onchocerca volvulus 0.0094 0.3082 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0065 0.1565 0.1403
Schistosoma mansoni thyroid hormone receptor 0.0065 0.1565 0.1403
Loa Loa (eye worm) hypothetical protein 0.0065 0.1565 0.1798
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0065 0.1565 0.1403
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.1565 0.3261
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0065 0.1565 0.1798
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0065 0.1565 0.1403
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.2175 0.0723
Loa Loa (eye worm) hypothetical protein 0.0042 0.0301 0.0346
Schistosoma mansoni coup transcription factor 0.0065 0.1565 0.1403
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0065 0.1565 0.3261
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.004 0.0188 0.0426
Loa Loa (eye worm) hypothetical protein 0.0065 0.1565 0.1798
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0081 0.2424 0.5294
Entamoeba histolytica hypothetical protein 0.0094 0.3115 0.6931
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0065 0.1565 0.1798
Schistosoma mansoni nuclear hormone receptor 0.0065 0.1565 0.1403
Echinococcus multilocularis sodium bile acid cotransporter 0.0094 0.3082 0.1799
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0065 0.1565 0.3261
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0065 0.1565 0.1798
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0222 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0065 0.1565 0.1798
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.4223 0.9555
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0065 0.1565 0.1403
Echinococcus multilocularis sodium bile acid cotransporter 0.0094 0.3082 0.1799
Echinococcus granulosus sodium bile acid cotransporter 0.0094 0.3082 0.1799
Loa Loa (eye worm) hypothetical protein 0.0065 0.1565 0.1798
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0065 0.1565 0.3261
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.1565 0.3261
Brugia malayi photoreceptor-specific nuclear receptor 0.0065 0.1565 0.3261
Loa Loa (eye worm) hypothetical protein 0.0065 0.1565 0.1798
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.1565 0.3261
Loa Loa (eye worm) hypothetical protein 0.0094 0.3082 0.3541
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0065 0.1565 0.3261
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.004 0.0188 0.5
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0118 0.4411 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0065 0.1565 0.1798
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.1565 0.3261
Schistosoma mansoni retinoic acid receptor RXR 0.0065 0.1565 0.1403
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.0879 0.1637
Loa Loa (eye worm) steroid hormone receptor 0.0065 0.1565 0.1798
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0065 0.1565 0.3261
Brugia malayi steroid hormone receptor 0.0065 0.1565 0.3261
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0094 0.3115 0.6931
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.4411 1
Echinococcus multilocularis sodium bile acid cotransporter 0.0094 0.3082 0.1799
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.1565 0.3261
Echinococcus granulosus sodium bile acid cotransporter 0.0094 0.3082 0.1799
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.2175 0.4706
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.4411 1
Brugia malayi Steroid receptor seven-up type 2 0.0065 0.1565 0.3261
Brugia malayi Nuclear hormone receptor-like 1 0.0065 0.1565 0.3261
Echinococcus granulosus sodium bile acid cotransporter 0.0094 0.3082 0.1799
Schistosoma mansoni thyroid hormone receptor 0.0065 0.1565 0.1403
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0065 0.1565 0.1798
Loa Loa (eye worm) hypothetical protein 0.0065 0.1565 0.1798
Brugia malayi Sodium Bile acid symporter family protein 0.0094 0.3082 0.6854
Loa Loa (eye worm) phosphatidylinositol 3 0.0198 0.8704 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1565 0.1798
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0065 0.1565 0.1403
Brugia malayi nuclear receptor NHR-88 0.0065 0.1565 0.3261
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0065 0.1565 0.1403
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.2175 0.0723
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0065 0.1565 0.1798
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.1565 0.3261
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.4411 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1565 0.1798
Schistosoma mansoni RAR-like nuclear receptor 0.0065 0.1565 0.1403
Schistosoma mansoni sodium-bile acid cotransporter related 0.0094 0.3082 0.295
Loa Loa (eye worm) hypothetical protein 0.0077 0.2175 0.2499
Schistosoma mansoni sodium-bile acid cotransporter related 0.0094 0.3082 0.295
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.4411 1
Brugia malayi ecdysteroid receptor 0.0065 0.1565 0.3261
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0065 0.1565 0.1403
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0222 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0118 0.4411 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0065 0.1565 0.3261
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0065 0.1565 0.3261
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0118 0.4411 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.017 uM Inhibition of GST-tagged bovine p110alpha expressed in SF9/Baculovirus system by SPA ChEMBL. 17601739
IC50 (binding) = 0.017 uM Inhibition of GST-tagged bovine p110alpha expressed in SF9/Baculovirus system by SPA ChEMBL. 17601739
IC50 (functional) = 12 uM Inhibition of serum-induced proliferation of human A375 cells ChEMBL. 17601739
IC50 (functional) = 12 uM Inhibition of serum-induced proliferation of human A375 cells ChEMBL. 17601739

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17601739

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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