Detailed information for compound 1656494

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.393 | Formula: C20H13FN2OS
  • H donors: 1 H acceptors: 1 LogP: 4.75 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1sc2c(c1/C=C/c1ccccc1)nc[nH]c2=O
  • InChi: 1S/C20H13FN2OS/c21-15-9-7-14(8-10-15)18-16(11-6-13-4-2-1-3-5-13)17-19(25-18)20(24)23-12-22-17/h1-12H,(H,22,23,24)/b11-6+
  • InChiKey: KJJHEHHFJAPRGJ-IZZDOVSWSA-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
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0442 0.0442
Echinococcus granulosus twitchin 0.0073 0.0427 0.0427
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0136 0.0895 1
Plasmodium vivax formin 2, putative 0.0136 0.0895 1
Brugia malayi daf-18 protein 0.0136 0.0895 0.0895
Echinococcus granulosus neuroglian 0.0066 0.0377 0.0377
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0075 0.0442 0.5
Loa Loa (eye worm) hypothetical protein 0.0136 0.0895 0.0895
Echinococcus multilocularis neuroglian 0.0066 0.0377 0.0377
Echinococcus multilocularis phosphatase and tensin 0.0136 0.0895 0.0895
Schistosoma mansoni tyrosine kinase 0.0022 0.0051 0.0051
Schistosoma mansoni cell adhesion molecule 0.0067 0.0381 0.0381
Echinococcus multilocularis Immunoglobulin 0.0059 0.0324 0.0324
Loa Loa (eye worm) NAK/GAK protein kinase 0.1371 1 1
Schistosoma mansoni pten 0.0136 0.0895 0.0895
Brugia malayi Immunoglobulin I-set domain containing protein 0.0074 0.0432 0.0432
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0136 0.0895 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0381 0.0381
Trypanosoma cruzi tyrosine phosphatase, putative 0.0136 0.0895 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0059 0.0324 0.0324
Brugia malayi Protein kinase domain containing protein 0.0075 0.0442 0.0442
Brugia malayi hypothetical protein 0.0059 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0059 0.0324 0.0324
Echinococcus granulosus Immunoglobulin 0.0059 0.0324 0.0324
Echinococcus multilocularis roundabout 2 0.0074 0.0434 0.0434
Echinococcus granulosus cyclin g associated kinase 0.1371 1 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0059 0.0324 0.0324
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0059 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0059 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0074 0.0434 0.0434
Echinococcus multilocularis Immunoglobulin 0.0059 0.0324 0.0324
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0442 0.0442
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0018 0.0025 0.0025
Leishmania major tyrosine phosphatase isoform, putative 0.0136 0.0895 1
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.1102 0.8011 0.8011
Loa Loa (eye worm) hypothetical protein 0.0059 0.0324 0.0324
Echinococcus multilocularis dual specificity protein kinase clk2 0.0075 0.0442 0.0442
Entamoeba histolytica phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative 0.0136 0.0895 0.5
Schistosoma mansoni atypical protein kinase C 0.0018 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.1228 0.8944 0.8944
Loa Loa (eye worm) hypothetical protein 0.0059 0.0324 0.0324
Brugia malayi Protein kinase domain containing protein 0.0018 0.0025 0.0025
Onchocerca volvulus 0.0018 0.0025 1
Echinococcus granulosus defective proboscis extension response 0.0059 0.0324 0.0324
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0075 0.0442 0.5
Plasmodium falciparum protein serine/threonine kinase-1 0.0075 0.0442 0.5
Echinococcus granulosus dual specificity protein kinase clk2 0.0075 0.0442 0.0442
Giardia lamblia Kinase, CMGC CLK 0.0075 0.0442 0.5
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0018 0.0025 0.0025
Echinococcus granulosus roundabout 2 0.0074 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0068 0.0391 0.0391
Echinococcus multilocularis 0.0068 0.0391 0.0391
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0075 0.0442 0.0442
Schistosoma mansoni serine/threonine protein kinase 0.1371 1 1
Schistosoma mansoni tensin 0.0136 0.0895 0.0895
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0022 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0059 0.0324 0.0324
Brugia malayi Fibronectin type III domain containing protein 0.0059 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0059 0.0324 0.0324
Echinococcus multilocularis cyclin g associated kinase 0.1371 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0074 0.0432 0.0432
Echinococcus granulosus phosphatase and tensin 0.0136 0.0895 0.0895
Trichomonas vaginalis pten, drome, putative 0.0136 0.0895 1
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0136 0.0895 1
Echinococcus granulosus hypothetical protein 0.0068 0.0391 0.0391
Brugia malayi Immunoglobulin I-set domain containing protein 0.0059 0.0324 0.0324
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0067 0.0381 0.0381
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0075 0.0442 0.5
Schistosoma mansoni vesicular amine transporter 0.0059 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0074 0.0434 0.0434
Schistosoma mansoni nephrin 0.0066 0.0377 0.0377
Entamoeba histolytica hypothetical protein 0.0136 0.0895 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 39 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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