Detailed information for compound 1028271

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.049 | Formula: C9H4Cl2F3N3
  • H donors: 0 H acceptors: 2 LogP: 3.52 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1nnn(c1)c1cc(Cl)cc(c1)Cl)(F)F
  • InChi: 1S/C9H4Cl2F3N3/c10-5-1-6(11)3-7(2-5)17-4-8(15-16-17)9(12,13)14/h1-4H
  • InChiKey: GLJSDAZOAXKSRW-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
Schistosoma mansoni pyruvate kinase 0.0034 0.2461 0.3221
Brugia malayi Inositol-1 0.0038 0.3003 0.1603
Loa Loa (eye worm) hypothetical protein 0.0029 0.1667 0.0844
Echinococcus multilocularis FTZ F1 alpha 0.0029 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.0029 0.1667 0.0844
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4338 0.4338
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0029 0.1667 0.1667
Echinococcus granulosus ecdysone induced protein 78C 0.0029 0.1667 0.1667
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.4338 0.3905
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.3003 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0029 0.1667 0.1667
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0.1667 0.2182
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.3003 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0029 0.1667 0.1667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0.1667 0.0844
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0029 0.1667 0.1667
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.2461 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.1667 0.1667
Schistosoma mansoni hypothetical protein 0.0038 0.3135 0.4103
Loa Loa (eye worm) hypothetical protein 0.0029 0.1667 0.0844
Entamoeba histolytica hypothetical protein 0.0038 0.3135 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.1667 0.2182
Schistosoma mansoni coup transcription factor 0.0029 0.1667 0.2182
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.3003 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0029 0.1667 0.1667
Loa Loa (eye worm) pyruvate kinase 0.0034 0.2461 0.1754
Echinococcus granulosus FTZ F1 alpha 0.0029 0.1667 0.1667
Schistosoma mansoni nuclear hormone receptor 0.0029 0.1667 0.2182
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.3135 0.4103
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.3003 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.3135 0.3135
Entamoeba histolytica hypothetical protein 0.0038 0.3135 1
Schistosoma mansoni pyruvate kinase 0.0034 0.2461 0.3221
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.3003 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0.1667 0.0844
Echinococcus multilocularis jun protein 0.0085 1 1
Loa Loa (eye worm) inositol-1 0.0038 0.3003 0.2375
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.2461 0.141
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.1667 0.1667
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4338 0.5677
Loa Loa (eye worm) hypothetical protein 0.0029 0.1667 0.0844
Giardia lamblia Pyruvate kinase 0.0034 0.2461 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.3003 0.94
Echinococcus multilocularis pyruvate kinase 0.0027 0.1396 0.1396
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.2461 0.0952
Echinococcus granulosus pyruvate kinase 0.0034 0.2461 0.2461
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.2461 0.8195
Loa Loa (eye worm) pyruvate kinase 0.0034 0.2461 0.1754
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.3003 0.3003
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0029 0.1667 0.1667
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4338 0.4338
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.2461 0.0952
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0029 0.1667 0.1667
Echinococcus multilocularis thyroid hormone receptor alpha 0.0029 0.1667 0.1667
Schistosoma mansoni hypothetical protein 0.0069 0.7641 1
Schistosoma mansoni thyroid hormone receptor 0.0029 0.1667 0.2182
Chlamydia trachomatis pyruvate kinase 0.0034 0.2461 0.5
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.2461 0.141
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.3003 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0029 0.1667 0.1667
Schistosoma mansoni thyroid hormone receptor 0.0029 0.1667 0.2182
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.1667 0.1667
Echinococcus multilocularis pyruvate kinase 0.0034 0.2461 0.2461
Echinococcus multilocularis pyruvate kinase 0.0034 0.2461 0.2461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4338 0.4338
Loa Loa (eye worm) hypothetical protein 0.0029 0.1667 0.0844
Loa Loa (eye worm) steroid hormone receptor 0.0029 0.1667 0.0844
Entamoeba histolytica hypothetical protein 0.0038 0.3135 1
Schistosoma mansoni jun-related protein 0.0069 0.7641 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.4338 0.3205
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0.1667 0.2182
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0.1667 0.2182
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0.1667 0.0844
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.3003 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4338 0.5677
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0029 0.1667 0.1667
Loa Loa (eye worm) pyruvate kinase 0.0034 0.2461 0.1754
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0.1667 0.0844
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0.1667 0.2182
Entamoeba histolytica hypothetical protein 0.0038 0.3135 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.3003 1
Echinococcus granulosus jun protein 0.0085 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.3003 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.3135 0.3135
Loa Loa (eye worm) hypothetical protein 0.0029 0.1667 0.0844
Schistosoma mansoni inositol monophosphatase 0.0038 0.3003 0.393
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0.1667 0.2182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0.1667 0.0844
Plasmodium falciparum pyruvate kinase 0.0034 0.2461 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0.1667 0.2182
Schistosoma mansoni inositol monophosphatase 0.0038 0.3003 0.393
Loa Loa (eye worm) hypothetical protein 0.0029 0.1667 0.0844
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0.1667 0.0844
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.3003 0.5
Plasmodium vivax pyruvate kinase, putative 0.0034 0.2461 1
Brugia malayi hypothetical protein 0.0038 0.3135 0.1762
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.2461 0.141
Loa Loa (eye worm) hypothetical protein 0.0082 0.9655 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.1667 0.0844
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0.1667 0.2182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4338 0.5677
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0.1667 0.2182
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.3003 0.3003
Loa Loa (eye worm) hypothetical protein 0.0034 0.2461 0.1754
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.1667 0.1667
Brugia malayi hypothetical protein 0.0066 0.7295 0.6754
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0.1667 0.0844
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4338 0.4338
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0029 0.1667 0.1667
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.2461 1
Onchocerca volvulus 0.0066 0.7295 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 1 1
Echinococcus granulosus pyruvate kinase 0.0034 0.2461 0.2461
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 1 1

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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