Detailed information for compound 668839

Basic information

Technical information
  • TDR Targets ID: 668839
  • Name: N,N'-bis(3-ethylphenyl)butanediamide
  • MW: 324.417 | Formula: C20H24N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.43 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc(c1)NC(=O)CCC(=O)Nc1cccc(c1)CC
  • InChi: 1S/C20H24N2O2/c1-3-15-7-5-9-17(13-15)21-19(23)11-12-20(24)22-18-10-6-8-16(4-2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,23)(H,22,24)
  • InChiKey: CVRSRPYLVMRXRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N'-bis(3-ethylphenyl)succinamide
  • IVK/9021955
  • ZINC00475414
  • AK-968/13410418
  • Oprea1_795438

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 protein kinase 0.0123 0.1802 0.1802
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.2058 0.4676
Trichomonas vaginalis set domain proteins, putative 0.0234 0.4027 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2058 0.2058
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0038 0.008 0.008
Brugia malayi P21-Rho-binding domain containing protein 0.0051 0.0356 0.081
Brugia malayi prolyl oligopeptidase family protein 0.0253 0.4401 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0126 0.1846 0.4584
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.2058 0.4676
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0123 0.1802 0.1802
Brugia malayi P21-Rho-binding domain containing protein 0.0051 0.0356 0.081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2058 0.2058
Echinococcus multilocularis prolyl endopeptidase 0.0253 0.4401 0.4401
Onchocerca volvulus 0.0234 0.4027 0.9151
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0126 0.1846 0.1846
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.0051 0.0356 0.081
Schistosoma mansoni hypothetical protein 0.0532 1 1
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.0051 0.0356 0.0356
Entamoeba histolytica protein kinase, putative 0.0052 0.0377 0.168
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0038 0.008 0.0182
Echinococcus multilocularis PAK box P21 Rho binding 0.0052 0.0377 0.0377
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0771 0.0771
Plasmodium falciparum plasmepsin X 0.0271 0.4762 1
Giardia lamblia Hypothetical protein 0.0126 0.1846 0.1414
Schistosoma mansoni chromatin regulatory protein sir2 0.0126 0.1846 0.1846
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0126 0.1846 0.4087
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0072 0.0771 0.1753
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0123 0.1802 0.1802
Trypanosoma cruzi p21-activated kinase 3, putative 0.0072 0.0771 0.16
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0123 0.1802 0.1802
Schistosoma mansoni protein kinase 0.0123 0.1802 0.1802
Echinococcus granulosus inositol monophosphatase 1 0.0073 0.0797 0.0797
Brugia malayi hypothetical protein 0.0049 0.0313 0.0711
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0139 0.2115 0.5251
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0855 0.1796
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0797 0.166
Schistosoma mansoni chromatin regulatory protein sir2 0.0139 0.2115 0.2115
Loa Loa (eye worm) inositol-1 0.0073 0.0797 0.1811
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0038 0.008 0.0182
Loa Loa (eye worm) hypothetical protein 0.0107 0.1467 0.3332
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0797 0.166
Trypanosoma brucei PAB1-binding protein , putative 0.0076 0.0855 0.1794
Entamoeba histolytica protein kinase, putative 0.0123 0.1802 0.975
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2058 0.2058
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0855 0.1796
Echinococcus granulosus chromatin regulatory protein sir2 0.0126 0.1846 0.1846
Schistosoma mansoni cathepsin D (A01 family) 0.0311 0.5556 0.5556
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0139 0.2115 0.2115
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2058 0.2058
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0101 0.1344 0.2926
Schistosoma mansoni hypothetical protein 0.0532 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0139 0.2115 0.5251
Brugia malayi follicle stimulating hormone receptor 0.0229 0.3923 0.8913
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0101 0.1344 0.2926
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2058 0.2058
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0123 0.0123
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0126 0.1846 0.4087
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0038 0.008 0.0168
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0139 0.2115 0.5251
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0101 0.1344 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0073 0.0797 0.5
Schistosoma mansoni wiskott-aldrich syndrome protein 0.0051 0.0356 0.0356
Plasmodium vivax aspartyl protease, putative 0.0271 0.4762 1
Echinococcus multilocularis geminin 0.0532 1 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0126 0.1846 0.4195
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0123 0.0123
Schistosoma mansoni cathepsin D (A01 family) 0.0311 0.5556 0.5556
Echinococcus granulosus prolyl endopeptidase 0.0253 0.4401 0.4401
Entamoeba histolytica hypothetical protein 0.004 0.0123 0.0243
Schistosoma mansoni inositol monophosphatase 0.0073 0.0797 0.0797
Trichomonas vaginalis STE family protein kinase 0.0052 0.0377 0.0936
Toxoplasma gondii LsmAD domain-containing protein 0.0076 0.0855 0.1796
Plasmodium vivax aspartyl protease, putative 0.0271 0.4762 1
Leishmania major oligopeptidase b 0.0101 0.1344 0.2926
Echinococcus multilocularis chromatin regulatory protein sir2 0.0126 0.1846 0.1846
Schistosoma mansoni hypothetical protein 0.004 0.0123 0.0123
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0123 0.0123
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.3923 0.8913
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0038 0.008 0.0182
Schistosoma mansoni inositol monophosphatase 0.0073 0.0797 0.0797
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0072 0.0771 0.16
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0126 0.1846 1
Entamoeba histolytica p21-activated kinase 0.0123 0.1802 0.975
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0052 0.0377 0.0856
Trypanosoma cruzi oligopeptidase b 0.0101 0.1344 0.2926
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0356 0.0356
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0253 0.4401 0.4401
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0253 0.4401 1
Brugia malayi hypothetical protein 0.004 0.0123 0.0279
Entamoeba histolytica protein kinase, putative 0.0052 0.0377 0.168
Brugia malayi Pre-SET motif family protein 0.0206 0.3457 0.7854
Plasmodium falciparum plasmepsin IX 0.0271 0.4762 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.4401 1
Echinococcus granulosus serine:threonine protein kinase PAK 1 0.0071 0.0751 0.0751
Loa Loa (eye worm) hypothetical protein 0.0076 0.0855 0.1943
Entamoeba histolytica hypothetical protein 0.0051 0.0356 0.1565
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0797 0.166
Trichomonas vaginalis inositol monophosphatase, putative 0.0073 0.0797 0.1979
Schistosoma mansoni chromatin regulatory protein sir2 0.0126 0.1846 0.1846
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0101 0.1344 0.2174
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.3457 0.7854
Schistosoma mansoni tyrosine kinase 0.0051 0.0356 0.0356
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0123 0.1802 0.1802
Entamoeba histolytica hypothetical protein 0.004 0.0123 0.0243
Brugia malayi WH1 domain containing protein 0.0051 0.0356 0.081
Trichomonas vaginalis mitogen-activated protein kinase kinase kinase 3, MAPKKK3, MEKK3, putative 0.0072 0.0771 0.1915
Echinococcus multilocularis neural Wiskott Aldrich syndrome protein 0.0051 0.0356 0.0356
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0073 0.0797 0.1674
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0139 0.2115 0.2115
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0797 0.166
Trypanosoma cruzi oligopeptidase b 0.0101 0.1344 0.2926
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0038 0.008 0.008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2058 0.2058
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0101 0.1344 0.2926
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0072 0.0771 0.1753
Toxoplasma gondii prolyl endopeptidase 0.0253 0.4401 0.9243
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0038 0.008 0.0199
Mycobacterium tuberculosis Probable peptidase 0.0101 0.1344 0.2174
Onchocerca volvulus Prolyl endopeptidase homolog 0.0253 0.4401 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0226 0.3869 1
Brugia malayi p21/Cdc42/Rac1-activated kinase 0.0072 0.0771 0.1753
Leishmania major hypothetical protein, conserved 0.0076 0.0855 0.1794
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0073 0.0797 0.1979
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0139 0.2115 1
Loa Loa (eye worm) transcriptional regulator 0.0126 0.1846 0.4195
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0038 0.008 0.0168
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.1782 0.4424
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0101 0.1344 1
Trypanosoma brucei oligopeptidase b 0.0101 0.1344 0.2926
Trypanosoma cruzi prolyl endopeptidase 0.0253 0.4401 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0012 0.0012
Brugia malayi Inositol-1 0.0073 0.0797 0.1811
Entamoeba histolytica hypothetical protein 0.0051 0.0356 0.1565
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0038 0.008 0.0182
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0051 0.0356 0.0356
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0126 0.1846 0.1846
Trichomonas vaginalis STE family protein kinase 0.0123 0.1802 0.4474
Entamoeba histolytica hypothetical protein 0.004 0.0123 0.0243
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0038 0.008 0.0168
Loa Loa (eye worm) hypothetical protein 0.0139 0.2115 0.4805
Trypanosoma brucei prolyl oligopeptidase, putative 0.0101 0.1344 0.2926
Trichomonas vaginalis STE family protein kinase 0.0123 0.1802 0.4474
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.0051 0.0356 0.0356
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0855 0.1794
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0123 0.1802 0.1802
Brugia malayi serine/threonine-protein kinase PAK 7 0.0052 0.0377 0.0856
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0771 0.0771
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0038 0.008 0.0199
Trichomonas vaginalis STE family protein kinase 0.0123 0.1802 0.4474
Leishmania major silent information regulator 2, putative 0.0126 0.1846 0.4087
Schistosoma mansoni hypothetical protein 0.0051 0.0356 0.0356
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0073 0.0797 0.1979
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0139 0.2115 0.5251
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0038 0.008 0.008
Echinococcus multilocularis inositol monophosphatase 1 0.0073 0.0797 0.0797
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0126 0.1846 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0253 0.4401 0.4401
Entamoeba histolytica protein kinase, putative 0.0052 0.0377 0.168
Schistosoma mansoni hypothetical protein 0.0034 0.0012 0.0012
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0126 0.1846 0.4087
Echinococcus granulosus PAK box P21 Rho binding 0.0051 0.0356 0.0356
Trypanosoma brucei prolyl endopeptidase 0.0253 0.4401 1
Plasmodium vivax ataxin-2 like protein, putative 0.0076 0.0855 0.1796
Brugia malayi hypothetical protein 0.0076 0.0855 0.1943
Toxoplasma gondii aspartyl protease ASP3 0.0271 0.4762 1
Trichomonas vaginalis STE family protein kinase 0.0123 0.1802 0.4474
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0126 0.1846 0.4584
Schistosoma mansoni chromatin regulatory protein sir2 0.0126 0.1846 0.1846
Brugia malayi NAD-dependent deacetylase SIRT1 0.0139 0.2115 0.4805
Echinococcus multilocularis PAK box P21 Rho binding 0.0051 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0122 0.1782 0.4048
Schistosoma mansoni protein kinase 0.0052 0.0377 0.0377
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0073 0.0797 0.406
Schistosoma mansoni hypothetical protein 0.0051 0.0356 0.0356
Brugia malayi Protein kinase domain 0.0123 0.1802 0.4094
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2058 0.2058
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0123 0.1802 0.1802
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0855 0.1794
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0101 0.1344 0.2926
Entamoeba histolytica hypothetical protein 0.004 0.0123 0.0243
Schistosoma mansoni protein kinase 0.0051 0.0356 0.0356

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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