Detailed information for compound 1656491

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 260.287 | Formula: C13H9FN2OS
  • H donors: 1 H acceptors: 1 LogP: 2.85 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1sc2c(c1C)nc[nH]c2=O
  • InChi: 1S/C13H9FN2OS/c1-7-10-12(13(17)16-6-15-10)18-11(7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)
  • InChiKey: BBAOWCHOYMXJFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0016 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0053 0.0332 0.0332
Echinococcus granulosus Immunoglobulin 0.0053 0.0332 0.0332
Entamoeba histolytica phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative 0.0119 0.0893 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0053 0.0332 0.0332
Echinococcus granulosus hypothetical protein 0.0061 0.04 0.04
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0332 0.0332
Schistosoma mansoni serine/threonine protein kinase 0.1201 1 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0067 0.0451 0.0451
Echinococcus multilocularis Immunoglobulin 0.0053 0.0332 0.0332
Brugia malayi Immunoglobulin I-set domain containing protein 0.0066 0.0442 0.0442
Schistosoma mansoni tensin 0.0119 0.0893 0.0893
Trypanosoma cruzi tyrosine phosphatase, putative 0.0119 0.0893 1
Brugia malayi Protein kinase domain containing protein 0.0016 0.0024 0.0024
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0053 0.0332 0.0332
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0987 0.8197 0.8197
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0451 0.0451
Loa Loa (eye worm) NAK/GAK protein kinase 0.1201 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.039 0.039
Brugia malayi daf-18 protein 0.0119 0.0893 0.0893
Entamoeba histolytica hypothetical protein 0.0119 0.0893 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0444 0.0444
Brugia malayi Fibronectin type III domain containing protein 0.0053 0.0332 0.0332
Schistosoma mansoni cell adhesion molecule 0.006 0.039 0.039
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0016 0.0024 0.0024
Echinococcus multilocularis 0.0061 0.04 0.04
Giardia lamblia Kinase, CMGC CLK 0.0067 0.0451 0.5
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0067 0.0451 0.5
Schistosoma mansoni nephrin 0.0059 0.0386 0.0386
Plasmodium vivax formin 2, putative 0.0119 0.0893 1
Loa Loa (eye worm) hypothetical protein 0.1076 0.8944 0.8944
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0019 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0119 0.0893 0.0893
Brugia malayi hypothetical protein 0.0053 0.0332 0.0332
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0053 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0053 0.0332 0.0332
Echinococcus granulosus defective proboscis extension response 0.0053 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0066 0.0444 0.0444
Echinococcus granulosus roundabout 2 0.0066 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0053 0.0332 0.0332
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0067 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0053 0.0332 0.0332
Plasmodium falciparum protein serine/threonine kinase-1 0.0067 0.0451 0.5
Echinococcus granulosus phosphatase and tensin 0.0119 0.0893 0.0893
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0119 0.0893 0.5
Echinococcus granulosus twitchin 0.0065 0.0436 0.0436
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0066 0.0442 0.0442
Echinococcus multilocularis cyclin g associated kinase 0.1201 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.006 0.039 0.039
Echinococcus multilocularis roundabout 2 0.0066 0.0444 0.0444
Schistosoma mansoni tyrosine kinase 0.002 0.0052 0.0052
Schistosoma mansoni vesicular amine transporter 0.0053 0.0332 0.0332
Trichomonas vaginalis pten, drome, putative 0.0119 0.0893 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0067 0.0451 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0451 0.0451
Onchocerca volvulus 0.0016 0.0024 1
Echinococcus multilocularis Immunoglobulin 0.0053 0.0332 0.0332
Echinococcus granulosus cyclin g associated kinase 0.1201 1 1
Schistosoma mansoni pten 0.0119 0.0893 0.0893
Echinococcus multilocularis phosphatase and tensin 0.0119 0.0893 0.0893
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0119 0.0893 1
Echinococcus granulosus neuroglian 0.0059 0.0386 0.0386
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.04
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0119 0.0893 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0067 0.0451 0.5
Schistosoma mansoni atypical protein kinase C 0.0016 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0053 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0053 0.0332 0.0332
Echinococcus granulosus dual specificity protein kinase clk2 0.0067 0.0451 0.0451
Leishmania major tyrosine phosphatase isoform, putative 0.0119 0.0893 1
Echinococcus multilocularis neuroglian 0.0059 0.0386 0.0386
Brugia malayi Protein kinase domain containing protein 0.0067 0.0451 0.0451

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 106 uM Competitive inhibition of PDK1 using [gamma-33P]-ATP as substrate after 30 mins by scintillation counting ChEMBL. 22591730

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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