Detailed information for compound 1564709

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 404.339 | Formula: C20H15F3N2O4
  • H donors: 3 H acceptors: 4 LogP: 5.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.O=C(c1ccccc1O)N/N=C/c1ccc2c(c1)cccc2
  • InChi: 1S/C18H14N2O2.C2HF3O2/c21-17-8-4-3-7-16(17)18(22)20-19-12-13-9-10-14-5-1-2-6-15(14)11-13;3-2(4,5)1(6)7/h1-12,21H,(H,20,22);(H,6,7)/b19-12+;
  • InChiKey: YOXVGGGDGAQFAF-NNTHFVATSA-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
Onchocerca volvulus 0.0077 0.0935 0.2347
Echinococcus granulosus peroxidasin 0.0077 0.0935 0.3524
Brugia malayi hypothetical protein 0.0119 0.1749 0.1732
Leishmania major ATP-dependent phosphofructokinase 0.0106 0.1504 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.1027 0.1621
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.3375 0.3361
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.1504 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.2292 0.2276
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0154 0.058
Brugia malayi Peroxidasin 0.0077 0.0935 0.0917
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0845 0.3182
Loa Loa (eye worm) hypothetical protein 0.0159 0.253 0.2514
Echinococcus multilocularis peroxidasin 0.0077 0.0935 0.3473
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0374 0.057
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.1504 0.239
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0154 1
Loa Loa (eye worm) hypothetical protein 0.0309 0.5428 0.5419
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0399 0.0379
Loa Loa (eye worm) animal heme peroxidase 0.0077 0.0935 0.0917
Echinococcus multilocularis 6 phosphofructokinase 0.0106 0.1504 0.5633
Schistosoma mansoni peroxidasin 0.0077 0.0935 0.1474
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0154 0.0365
Schistosoma mansoni hypothetical protein 0.0033 0.0102 0.013
Brugia malayi Blistered cuticle protein 3 0.0077 0.0935 0.0917
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.1027 0.382
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0021 0.0642
Loa Loa (eye worm) animal heme peroxidase 0.0077 0.0935 0.0917
Onchocerca volvulus 0.0231 0.3918 1
Loa Loa (eye worm) hypothetical protein 0.0546 1 1
Brugia malayi Dopamine receptor protein 1 0.0432 0.7786 0.7782
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0102 0.0081
Onchocerca volvulus Peroxidasin homolog 0.0077 0.0935 0.2347
Loa Loa (eye worm) hypothetical protein 0.0033 0.0102 0.0081
Onchocerca volvulus 0.0081 0.1027 0.2582
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0136 0.044
Trichomonas vaginalis set domain proteins, putative 0.0231 0.3916 1
Schistosoma mansoni hypothetical protein 0.0166 0.2655 0.4243
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0154 0.0128
Brugia malayi hypothetical protein 0.0159 0.253 0.2514
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0154 0.0365
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.1504 1
Loa Loa (eye worm) hypothetical protein 0.0432 0.7786 0.7782
Brugia malayi phosphofructokinase 0.0106 0.1504 0.1487
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0845 0.3128
Loa Loa (eye worm) hypothetical protein 0.0081 0.1027 0.1008
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0935 0.0917
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0154 0.0506
Brugia malayi 6-phosphofructokinase 0.0106 0.1504 0.1487
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0935 0.0917
Loa Loa (eye worm) blistered cuticle protein 3 0.0077 0.0935 0.0917
Onchocerca volvulus Peroxidase homolog 0.0077 0.0935 0.2347
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.1504 0.3823
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0935 0.0917
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0546 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.1504 0.3823
Loa Loa (eye worm) animal heme peroxidase 0.0077 0.0935 0.0917
Mycobacterium ulcerans 6-phosphofructokinase 0.0106 0.1504 1
Brugia malayi 6-phosphofructokinase 0.0106 0.1504 0.1487
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Loa Loa (eye worm) inositol-1 0.0036 0.0154 0.0134
Schistosoma mansoni inositol monophosphatase 0.0036 0.0154 0.0215
Echinococcus granulosus single minded 2 0.0035 0.0136 0.0514
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0136 0.0116
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.1504 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.1504 0.239
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Brugia malayi PAS domain containing protein 0.0047 0.0374 0.0354
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Onchocerca volvulus Chorion peroxidase homolog 0.0077 0.0935 0.2347
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0154 0.0954
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.1504 0.3823
Plasmodium vivax SET domain protein, putative 0.0029 0.0021 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0399 0.0379
Schistosoma mansoni hypothetical protein 0.0166 0.2655 0.4243
Loa Loa (eye worm) phosphofructokinase 0.0106 0.1504 0.1487
Schistosoma mansoni single-minded 0.0047 0.0374 0.057
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0012 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0154 0.5
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0935 0.0917
Loa Loa (eye worm) animal heme peroxidase 0.0077 0.0935 0.0917
Echinococcus multilocularis geminin 0.0166 0.2655 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0012 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0399 0.0379
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.1504 0.1487
Schistosoma mansoni inositol monophosphatase 0.0036 0.0154 0.0215
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0012 0.5
Schistosoma mansoni peroxidasin 0.0077 0.0935 0.1474
Schistosoma mansoni amine GPCR 0.0351 0.6228 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0012 0.5
Onchocerca volvulus Peroxidasin homolog 0.0077 0.0935 0.2347
Echinococcus granulosus geminin 0.0166 0.2655 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Brugia malayi hypothetical protein 0.0077 0.0935 0.0917
Onchocerca volvulus Peroxidase homolog 0.0077 0.0935 0.2347
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0106 0.1504 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0399 0.0379
Onchocerca volvulus 0.0035 0.0136 0.0297
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.1027 0.3868
Onchocerca volvulus 0.0077 0.0935 0.2347
Brugia malayi Pre-SET motif family protein 0.0203 0.3375 0.3361
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.1504 0.1487
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0154 0.0365
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.1027 0.1008
Brugia malayi hypoxia-induced factor 1 0.0147 0.2292 0.2276
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0021 0.0078
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0012 0.5
Brugia malayi Inositol-1 0.0036 0.0154 0.0134
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.1504 1
Loa Loa (eye worm) hypothetical protein 0.0546 1 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.1504 1
Brugia malayi Animal haem peroxidase family protein 0.0077 0.0935 0.0917
Onchocerca volvulus 0.0077 0.0935 0.2347
Onchocerca volvulus Dual oxidase homolog 0.0077 0.0935 0.2347
Echinococcus granulosus 6 phosphofructokinase 0.0106 0.1504 0.5667
Loa Loa (eye worm) hypothetical protein 0.0077 0.0935 0.0917
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.1504 0.3823
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0106 0.1504 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0106 0.1504 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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