Detailed information for compound 910875

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.49 | Formula: C24H28N2O5
  • H donors: 1 H acceptors: 4 LogP: 4.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=C(C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)[N+](=O)[O-])OC1CCCC1
  • InChi: 1S/C24H28N2O5/c1-14-20(23(28)31-17-6-4-5-7-17)21(15-8-10-16(11-9-15)26(29)30)22-18(25-14)12-24(2,3)13-19(22)27/h8-11,17,21,27H,4-7,12-13H2,1-3H3
  • InChiKey: VLXJWYLWFXMCQW-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
Entamoeba histolytica hypothetical protein 0.0074 0.0276 0.1427
Brugia malayi beta-NAC-like protein 0.0074 0.0276 0.0381
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0155 0.0737 0.1328
Echinococcus multilocularis Glycoside hydrolase, family 27 0.011 0.0476 0.0476
Echinococcus granulosus transcription factor btf3 0.0074 0.0276 0.0497
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0095 0.0391 0.0391
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0007 0.0167
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0095 0.0391 0.2167
Echinococcus granulosus Endonuclease G 0.0361 0.1907 0.3437
Schistosoma mansoni hypothetical protein 0.0028 0.0015 0.0021
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0095 0.244
Schistosoma mansoni hypothetical protein 0.0095 0.0391 0.0541
Treponema pallidum fructose-bisphosphate aldolase 0.031 0.1614 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.5896
Plasmodium vivax basic transcription factor 3b, putative 0.0074 0.0276 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.3272
Echinococcus multilocularis peregrin 0.0032 0.0037 0.0037
Leishmania major hypothetical protein, conserved 0.0027 0.0007 0.0034
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0095 0.0391 0.0705
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0073 0.0268 0.1009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.1614 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0151 0.0713 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0015 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0276 0.1057
Echinococcus multilocularis transferase 0.0095 0.0391 0.0391
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0219 0.1149
Echinococcus multilocularis ectonucleotide 0.0507 0.2734 0.2734
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0476 0.0658
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.1614 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.0726 0.1308
Trypanosoma brucei endonuclease G, putative 0.0361 0.1907 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0391 0.0541
Echinococcus multilocularis neuropeptide s receptor 0.1002 0.555 0.555
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0602 0.3272 0.4524
Loa Loa (eye worm) hypothetical protein 0.0095 0.0391 0.0541
Giardia lamblia Fructose-bisphosphate aldolase 0.031 0.1614 1
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0015 0.0021
Brugia malayi Melibiase family protein 0.0073 0.0268 0.0371
Echinococcus granulosus jumonji domain containing protein 0.004 0.0078 0.0141
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0095 0.0391 0.0391
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0219 0.0219
Toxoplasma gondii melibiase subfamily protein 0.011 0.0476 0.2495
Mycobacterium ulcerans hypothetical protein 0.0095 0.0391 0.348
Trypanosoma cruzi endonuclease G, putative 0.0361 0.1907 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0151 0.0713 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0007 0.0034
Toxoplasma gondii NAC domain-containing protein 0.0074 0.0276 0.1445
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0095 0.0391 1
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0361 0.1907 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0073 0.0268 0.0371
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0095 0.0391 0.0541
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0219 0.0303
Loa Loa (eye worm) hypothetical protein 0.0065 0.0225 0.0311
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0053 0.0053
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0476 0.0658
Loa Loa (eye worm) hypothetical protein 0.0602 0.3272 0.4524
Echinococcus multilocularis lysine specific demethylase 5A 0.0097 0.0403 0.0403
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.1614 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0007 0.0009
Onchocerca volvulus GPI ethanolamine phosphate transferase 3 homolog 0.0095 0.0391 0.0521
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0187 0.0259
Leishmania major ethanolamine phosphotransferase, putative 0.0095 0.0391 0.2051
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0602 0.3272 0.4524
Loa Loa (eye worm) ICD-1 protein 0.0074 0.0276 0.0381
Brugia malayi hypothetical protein 0.0095 0.0391 0.0541
Plasmodium falciparum basic transcription factor 3b, putative 0.0074 0.0276 0.7047
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.5896
Brugia malayi PHD-finger family protein 0.0028 0.0015 0.0021
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0007 0.0237
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0361 0.1907 1
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0095 0.0391 0.2352
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0053 0.0073
Echinococcus granulosus lysine specific demethylase 5A 0.0097 0.0403 0.0727
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.0095 0.0391 0.0521
Schistosoma mansoni jumonji/arid domain-containing protein 0.0097 0.0403 0.0557
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.3272
Brugia malayi hypothetical protein 0.0095 0.0391 0.0541
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0015 0.0015
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.011 0.0476 0.0857
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.1614 1
Echinococcus granulosus ectonucleotide 0.0507 0.2734 0.4927
Onchocerca volvulus GPI ethanolamine phosphate transferase 2 homolog 0.0095 0.0391 0.0521
Trypanosoma cruzi transcription factor btf3, putative 0.0074 0.0276 0.1445
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0095 0.0391 0.0541
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0095 0.0391 0.0391
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.3272
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.5896
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0151 0.0713 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.031 0.1614 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0015 0.0544
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0015 0.0027
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0219 0.0395
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0007 0.0034
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog 0.0095 0.0391 0.0521
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0073 0.0268 0.0371
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0015 0.0021
Loa Loa (eye worm) hypothetical protein 0.0507 0.2734 0.378
Echinococcus granulosus peregrin 0.0032 0.0037 0.0067
Loa Loa (eye worm) jmjC domain-containing protein 0.0097 0.0403 0.0557
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0095 0.0273
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.1614 1
Leishmania major endonuclease G, putative 0.0361 0.1907 1
Onchocerca volvulus 0.1298 0.7233 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.3272
Schistosoma mansoni jumonji/arid domain-containing protein 0.0097 0.0403 0.0557
Brugia malayi endonuclease G, mitochondrial precursor 0.0361 0.1907 0.2637
Brugia malayi jmjC domain containing protein 0.0097 0.0403 0.0557
Schistosoma mansoni endonuclease related 0.0361 0.1907 0.2637
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0361 0.1907 1
Echinococcus multilocularis neuropeptide receptor A26 0.1002 0.555 0.555
Brugia malayi AEL166Cp 0.0095 0.0391 0.0541
Loa Loa (eye worm) hypothetical protein 0.0168 0.0808 0.1117
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0007 0.0034
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0602 0.3272 0.4524
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0095 0.0391 0.0541
Echinococcus multilocularis transcription factor btf3 0.0074 0.0276 0.0276
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0095 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0602 0.3272 0.4524
Schistosoma mansoni hypothetical protein 0.0035 0.0053 0.0073
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0053 0.0095
Schistosoma mansoni hypothetical protein 0.1298 0.7233 1
Brugia malayi hypothetical protein 0.0168 0.0808 0.1117
Echinococcus granulosus neuropeptide s receptor 0.1002 0.555 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.1298 0.7233 1
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0219 0.1149
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog 0.0095 0.0391 0.0521
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0007 0.0167
Schistosoma mansoni hypothetical protein 0.0095 0.0391 0.0541
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0015 0.0079
Schistosoma mansoni transcription factor btf3 0.0074 0.0276 0.0381
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0602 0.3272 0.4524
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0007 0.0034
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.031 0.1614 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0078 0.0078
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0095 0.0503
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0095 0.0391 0.0391
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.3272
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.5896
Entamoeba histolytica transcription factor BTF3, putative 0.0074 0.0276 0.1427
Loa Loa (eye worm) hypothetical protein 0.0602 0.3272 0.4524
Brugia malayi hypothetical protein 0.0035 0.0053 0.0073
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0095 0.0391 0.2167
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0117 0.0212
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.3272
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.011 0.0476 0.0476
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.1614 1
Trypanosoma brucei transcription factor BTF3, putative 0.0074 0.0276 0.1445
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0117 0.0616
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1298 0.7233 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.1614 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0268 0.0371
Onchocerca volvulus 0.0602 0.3272 0.4512
Echinococcus multilocularis Endonuclease G 0.0361 0.1907 0.1907
Onchocerca volvulus 0.0602 0.3272 0.4512
Trypanosoma brucei endonuclease G, putative 0.0361 0.1907 1
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.0751 0.1039
Loa Loa (eye worm) acetyltransferase 0.0158 0.0751 0.1039
Trypanosoma cruzi endonuclease G, putative 0.0361 0.1907 1
Brugia malayi Bromodomain containing protein 0.0032 0.0037 0.0051
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0602 0.3272 0.4524
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0219 0.0303
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0602 0.3272 0.5896
Trypanosoma brucei endonuclease G, putative 0.0361 0.1907 1
Brugia malayi jmjC domain containing protein 0.0155 0.0737 0.1019
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.0751 0.0751
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0095 0.0391 0.0705
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.1614 1
Onchocerca volvulus 0.0168 0.0808 0.1099
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.0751 0.1039
Echinococcus granulosus neuropeptide receptor A26 0.1002 0.555 1
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0276 0.1057
Leishmania major basic transcription factor 3a, putative 0.0074 0.0276 0.1445
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0276 0.1057
Loa Loa (eye worm) hypothetical protein 0.0028 0.0015 0.0021
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0117 0.426
Echinococcus granulosus transferase 0.0095 0.0391 0.0705
Loa Loa (eye worm) hypothetical protein 0.0095 0.0391 0.0541
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0507 0.2734 0.2734
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0095 0.0391 0.2051
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0117 0.0616
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0155 0.0737 0.0737
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0476 0.0658
Trypanosoma cruzi transcription factor btf3, putative 0.0074 0.0276 0.1445
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0361 0.1907 1
Schistosoma mansoni jumonji domain containing protein 0.0136 0.0628 0.0868
Brugia malayi hypothetical protein 0.0027 0.0007 0.0009
Loa Loa (eye worm) hypothetical protein 0.0095 0.0391 0.0541
Schistosoma mansoni hypothetical protein 0.0095 0.0391 0.0541
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0476 0.0658
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0507 0.2734 0.4927
Plasmodium falciparum phd finger protein, putative 0.0028 0.0015 0.0383
Schistosoma mansoni hypothetical protein 0.0095 0.0391 0.0541

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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