Detailed information for compound 926423

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.25 | Formula: C14H7BrN2O4S2
  • H donors: 1 H acceptors: 3 LogP: 4.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1S/C(=C\c2ccc(o2)c2cc(ccc2Br)[N+](=O)[O-])/C(=O)N1
  • InChi: 1S/C14H7BrN2O4S2/c15-10-3-1-7(17(19)20)5-9(10)11-4-2-8(21-11)6-12-13(18)16-14(22)23-12/h1-6H,(H,16,18,22)/b12-6-
  • InChiKey: ZGJFXDRVSYXOLA-SDQBBNPISA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 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 kinase, 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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 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
Trichomonas vaginalis phosphatidylinositol 3-kinase class, 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
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, 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
Leishmania infantum 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
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 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
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
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
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, 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
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127444 All targets in OG5_127444

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0092 0.1106 0.0938
Schistosoma mansoni wnt related 0.0067 0.0482 0.0676
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0142 0.235 0.3295
Brugia malayi wnt family protein 0.0067 0.0482 0.0676
Loa Loa (eye worm) hypothetical protein 0.0067 0.0482 0.0593
Loa Loa (eye worm) hypothetical protein 0.0067 0.0482 0.0593
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0092 0.1106 0.0938
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0115 0.1686 0.2364
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0047 0 0.5
Echinococcus multilocularis frizzled 0.0115 0.1686 0.1811
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0115 0.1686 0.2296
Schistosoma mansoni wnt related 0.0067 0.0482 0.0676
Entamoeba histolytica hypothetical protein 0.0113 0.1629 0.6931
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0142 0.235 0.2809
Echinococcus granulosus secreted frizzled protein 5 0.0115 0.1686 0.1811
Echinococcus multilocularis frizzled 10 0.0115 0.1686 0.1811
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0092 0.1106 0.1551
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0115 0.1686 0.2364
Loa Loa (eye worm) hypothetical protein 0.0115 0.1686 0.2296
Echinococcus multilocularis frizzled 5 0.0115 0.1686 0.1811
Schistosoma mansoni wnt inhibitor frzb2 0.0115 0.1686 0.2364
Schistosoma mansoni wnt-5 0.0067 0.0482 0.0676
Schistosoma mansoni netrin 0.0334 0.7132 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0142 0.235 1
Brugia malayi wnt family protein 0.0067 0.0482 0.0676
Schistosoma mansoni frizzled 0.0115 0.1686 0.2364
Loa Loa (eye worm) Wnt2 protein 0.0067 0.0482 0.0593
Loa Loa (eye worm) hypothetical protein 0.0067 0.0482 0.0593
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0097 0.1244 0.5294
Echinococcus multilocularis secreted frizzled protein 0.0115 0.1686 0.1811
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0142 0.235 1
Echinococcus granulosus frizzled 0.0115 0.1686 0.1811
Loa Loa (eye worm) hypothetical protein 0.0092 0.1106 0.1475
Brugia malayi Unc-6 protein precursor 0.0334 0.7132 1
Echinococcus granulosus frizzled 5 0.0115 0.1686 0.1811
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0063 0.0385 0.1637
Loa Loa (eye worm) sfrp2 0.0115 0.1686 0.2296
Schistosoma mansoni netrin 0.0334 0.7132 1
Echinococcus granulosus frizzled 4 0.0115 0.1686 0.1811
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0113 0.1629 0.6931
Echinococcus multilocularis netrin 1 0.0334 0.7132 1
Loa Loa (eye worm) wnt-4 protein 0.0067 0.0482 0.0593
Loa Loa (eye worm) CWN-2 protein 0.0067 0.0482 0.0593
Brugia malayi Wnt-2 protein precursor 0.0067 0.0482 0.0676
Schistosoma mansoni frizzled-like receptor 0.0115 0.1686 0.2364
Loa Loa (eye worm) phosphatidylinositol 3 0.0113 0.1629 0.2215
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0142 0.235 0.3295
Loa Loa (eye worm) hypothetical protein 0.0067 0.0482 0.0593
Echinococcus granulosus frizzled 0.0115 0.1686 0.1811
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0138 0.2245 0.9555
Echinococcus granulosus frizzled 0.0115 0.1686 0.1811
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0115 0.1686 0.2296
Schistosoma mansoni wnt related 0.0067 0.0482 0.0676
Brugia malayi wnt family protein 0.0067 0.0482 0.0676
Schistosoma mansoni wnt related 0.0067 0.0482 0.0676
Schistosoma mansoni frizzled-like receptor 0.0115 0.1686 0.2364
Echinococcus multilocularis frizzled 0.0115 0.1686 0.1811
Loa Loa (eye worm) hypothetical protein 0.0334 0.7132 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0097 0.1244 0.5294
Loa Loa (eye worm) hypothetical protein 0.0067 0.0482 0.0593
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0142 0.235 1
Echinococcus granulosus secreted frizzled protein 0.0115 0.1686 0.1811
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0142 0.235 1
Schistosoma mansoni secreted frizzled-related protein 0.0115 0.1686 0.2364
Echinococcus multilocularis smoothened 0.0115 0.1686 0.1811
Echinococcus multilocularis secreted frizzled protein 5 0.0115 0.1686 0.1811
Echinococcus granulosus netrin 1 0.0334 0.7132 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0068 0.0523 0.5
Brugia malayi wnt family protein 0.0067 0.0482 0.0676
Brugia malayi Fz domain containing protein 0.0115 0.1686 0.2364
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0142 0.235 0.2809
Loa Loa (eye worm) hypothetical protein 0.0115 0.1686 0.2296
Echinococcus multilocularis frizzled 4 0.0115 0.1686 0.1811
Brugia malayi Wnt-4 protein precursor 0.0067 0.0482 0.0676
Echinococcus granulosus smoothened 0.0115 0.1686 0.1811
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0142 0.235 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0142 0.235 1
Echinococcus multilocularis secreted frizzled protein 0.0115 0.1686 0.1811
Brugia malayi Fz domain containing protein 0.0115 0.1686 0.2364

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.6 uM Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate ChEMBL. 25050878

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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