Detailed information for compound 1635448

Basic information

Technical information
  • TDR Targets ID: 1635448
  • Name: N-(2-dimethylaminoethyl)-2-nitro-N'-phenylben zene-1,3-dicarboxamide
  • MW: 356.376 | Formula: C18H20N4O4
  • H donors: 2 H acceptors: 4 LogP: 1.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC(=O)c1cccc(c1[N+](=O)[O-])C(=O)Nc1ccccc1)C
  • InChi: 1S/C18H20N4O4/c1-21(2)12-11-19-17(23)14-9-6-10-15(16(14)22(25)26)18(24)20-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,24)
  • InChiKey: UKVCRKTZGCLQLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(2-dimethylaminoethyl)-2-(hydroxy-oxidoamino)-N-phenylbenzene-1,3-dicarboxamide
  • N'-(2-dimethylaminoethyl)-2-(hydroxy-oxido-amino)-N-phenyl-benzene-1,3-dicarboxamide
  • N-(2-dimethylaminoethyl)-2-nitro-N'-phenyl-benzene-1,3-dicarboxamide
  • N'-(2-dimethylaminoethyl)-2-(hydroxy-oxido-amino)-N-phenyl-isophthalamide
  • N-(2-dimethylaminoethyl)-2-nitro-N'-phenyl-isophthalamide
  • N~1~-(2-(Dimethylamino)ethyl)-2-(hydroxy(oxido)amino)-N~3~-phenylisophthalamide hydrochloride
  • NSC641703 (HYDROCHLORIDE SALT)
  • NCI60_014099
  • AIDS157474
  • AIDS-157474

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 protein kinase, putative 0.0033 0.0765 0.0765
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0061 0.2511 0.2416
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0182 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0182 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1029 0.0904
Echinococcus multilocularis serine protein kinase ATM 0.0034 0.0864 0.0864
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.8352 0.833
Trypanosoma cruzi Protein kinase B 0.0023 0.0125 0.0125
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0145 0.7704 0.7514
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0086 0.4061 0.3569
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0182 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0023 0.0125 0.0125
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.7113 0.7073
Loa Loa (eye worm) hypothetical protein 0.0034 0.0864 0.0737
Schistosoma mansoni fkbp-rapamycin associated protein 0.0034 0.0864 0.0747
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.4817 0.4745
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.7113 0.7073
Brugia malayi p70 ribosomal S6 kinase beta 0.0031 0.0639 0.027
Entamoeba histolytica hypothetical protein 0.0034 0.0864 0.0864
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.7695 0.7663
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0765 0.0637
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0061 0.2511 0.1891
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0034 0.0864 0.0864
Loa Loa (eye worm) AGC/AKT protein kinase 0.0033 0.0765 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.7695 0.7663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.4807 0.4735
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.7113 0.7073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0122 0.629 0.6239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.4817 0.4745
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.5398 0.5335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.7113 0.7073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.5465 0.5402
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1107 0.0984
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.7113 0.7073
Brugia malayi Protein kinase domain containing protein 0.0033 0.0765 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0864 0.0737
Loa Loa (eye worm) hypothetical protein 0.0027 0.038 0.0247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.6047 0.5992
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.002 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.2511 0.2407
Entamoeba histolytica protein kinase, putative 0.0033 0.0765 0.0765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.7113 0.7073
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.2511 0.2215
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0182 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0034 0.0864 0.0107
Entamoeba histolytica PH domain containing protein kinase, putative 0.0023 0.0125 0.0125
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.2511 0.2407
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0765 0.0637
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0034 0.0864 0.0503
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0182 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0023 0.0137 0.0137
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0182 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0038 0.1107 0.0722
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.7695 0.7663
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0182 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0076 0.3412 0.2867
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0182 1 1
Toxoplasma gondii FATC domain-containing protein 0.0034 0.0864 0.0346
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0765 0.0637
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0034 0.0864 0.0864
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0061 0.2511 0.2511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.2511 0.2407
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0061 0.2511 0.1891
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.5465 0.5402
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0061 0.2511 0.2511
Giardia lamblia GTOR 0.0182 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0034 0.0864 0.0864
Entamoeba histolytica protein kinase, putative 0.0031 0.0639 0.0639
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0864 0.0737
Trypanosoma cruzi target of rapamycin kinase 3 0.0145 0.7704 0.7704
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.1756 0.1641
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0182 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0034 0.0864 0.0503
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0182 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.2511 0.2407
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0061 0.2511 0.2511
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.2511 0.2407
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.2511 0.2407
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0765 0.0637
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0034 0.0864 0.0747
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0034 0.0864 0.0864
Schistosoma mansoni hypothetical protein 0.0027 0.038 0.0258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.7695 0.7663
Entamoeba histolytica PH domain containing protein kinase, putative 0.0023 0.0125 0.0125
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0864 0.0737
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0765 0.0637
Toxoplasma gondii target of rapamycin (TOR), putative 0.0135 0.7113 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.038 0.0247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.4807 0.4735
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0034 0.0864 0.0864
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0182 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.7113 0.7073
Echinococcus granulosus serine/threonine protein kinase 0.0023 0.0125 0.0125
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0027 0.038 0.038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.5398 0.5335
Loa Loa (eye worm) hypothetical protein 0.0038 0.1107 0.0984
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0061 0.2511 0.2511
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.002 0 0.5
Echinococcus granulosus serine protein kinase ATM 0.0034 0.0864 0.0864
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0027 0.038 0.038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.4817 0.4745
Entamoeba histolytica protein kinase rad3, putative 0.0034 0.0864 0.0864
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0765 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.4807 0.4735
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0765 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.5465 0.5402
Loa Loa (eye worm) phosphatidylinositol 3 0.0182 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.7695 0.7663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.4817 0.4745
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0145 0.7704 0.6934
Echinococcus multilocularis rac serine:threonine kinase 0.0023 0.0125 0.0125
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0031 0.0639 0.051

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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