Detailed information for compound 670923

Basic information

Technical information
  • TDR Targets ID: 670923
  • Name: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2 -(2-nitrophenyl)acetamide
  • MW: 308.313 | Formula: C12H12N4O4S
  • H donors: 1 H acceptors: 5 LogP: 0.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1nnc(s1)NC(=O)Cc1ccccc1[N+](=O)[O-]
  • InChi: 1S/C12H12N4O4S/c1-20-7-11-14-15-12(21-11)13-10(17)6-8-4-2-3-5-9(8)16(18)19/h2-5H,6-7H2,1H3,(H,13,15,17)
  • InChiKey: UUJZLZFZCZKKJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)ethanamide
  • STK119317
  • ZINC00474384

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
Echinococcus multilocularis dual specificity protein kinase clk2 0.006 0.002 0.0107
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0155 0.1101 0.5818
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0155 0.1101 0.5863
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0155 0.1101 0.5863
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0908 0.4837
Trichomonas vaginalis CMGC family protein kinase 0.006 0.002 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0163 0.1187 0.6286
Leishmania major protein kinase, putative 0.006 0.002 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0942 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0224 0.1877 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.006 0.002 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0908 0.4837
Giardia lamblia Kinase, CMGC CLK 0.006 0.002 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0942 1 0.5
Loa Loa (eye worm) CMGC/CLK protein kinase 0.006 0.002 0.0107
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0224 0.1877 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0155 0.1101 0.5
Brugia malayi Stress-activated protein kinase jnk-1 0.0224 0.1877 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0942 1 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0155 0.1101 0.5863
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0942 1 1
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.0728 0.5
Brugia malayi MH2 domain containing protein 0.0138 0.0908 0.4781
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.006 0.002 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.006 0.002 0.5
Echinococcus granulosus c-Jun N-terminal kinases 0.0224 0.1877 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.006 0.002 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0155 0.1101 0.5818
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.0728 0.5
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0942 1 0.5
Echinococcus granulosus dual specificity protein kinase clk2 0.006 0.002 0.0107
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.006 0.002 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.0728 0.5
Brugia malayi Protein kinase domain containing protein 0.0163 0.1187 0.6286
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.006 0.002 0.5
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.006 0.002 0.5
Brugia malayi Protein kinase domain containing protein 0.0155 0.1101 0.5818
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.0728 0.5
Leishmania major protein kinase, putative 0.006 0.002 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0942 1 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0942 1 1
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0224 0.1877 1
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.0728 0.5
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0163 0.1187 0.6326
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0155 0.1101 0.5863

Activities

No activities found for this compound.

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

No literature references available for this target.

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