Detailed information for compound 795857

Basic information

Technical information
  • TDR Targets ID: 795857
  • Name: N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-nitro benzamide
  • MW: 334.754 | Formula: C16H15ClN2O4
  • H donors: 1 H acceptors: 3 LogP: 3.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1[N+](=O)[O-])C(=O)NCCc1ccc(cc1)Cl
  • InChi: 1S/C16H15ClN2O4/c1-23-15-7-4-12(10-14(15)19(21)22)16(20)18-9-8-11-2-5-13(17)6-3-11/h2-7,10H,8-9H2,1H3,(H,18,20)
  • InChiKey: DXYIFMQYIIWSKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-nitro-benzamide
  • A0504/0023408
  • N-[2-(4-Chloro-phenyl)-ethyl]-4-methoxy-3-nitro-benzamide
  • ZINC00036022
  • Oprea1_064738

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 smad 0.001 0.0188 0.0131
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0425 0.0533
Trypanosoma brucei polo-like protein kinase 0.0111 0.5439 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0867 0.0793
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0689 0.2517
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0689 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0689 0.1175
Entamoeba histolytica hypothetical protein 0.0042 0.1881 0.3459
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.5439 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.2475 0.3461
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0296 0.011
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0668 0.2602
Plasmodium falciparum thioredoxin reductase 0.0055 0.2569 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Mycobacterium tuberculosis Probable reductase 0.0126 0.6254 0.8837
Leishmania major trypanothione reductase 0.0055 0.2569 0.4668
Brugia malayi Bloom's syndrome protein homolog 0.0028 0.1153 0.1589
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0188 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0502 0.0827
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.6986 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.0773
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.6254 0.8837
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0057 0.0222
Leishmania major DNA polymerase eta, putative 0.0052 0.2416 0.4384
Schistosoma mansoni DNA helicase recq5 0.0012 0.0296 0.024
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.6986 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0296 0.0341
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0689 0.2517
Schistosoma mansoni DNA polymerase eta 0.0052 0.2416 0.2373
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.2569 0.2427
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0867 0.1174
Loa Loa (eye worm) hypothetical protein 0.0052 0.2416 0.3377
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0111 0.5439 0.7703
Entamoeba histolytica hypothetical protein 0.0042 0.1881 0.3459
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0867 0.0692
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0867 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.1881 0.1726
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0188 0.0131
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0689 0.5
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0689 0.1175
Entamoeba histolytica hypothetical protein 0.0042 0.1881 0.3459
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.2475 0.2432
Trypanosoma cruzi polo-like protein kinase, putative 0.0111 0.5439 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0689 0.1175
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.115
Giardia lamblia DINP protein human, muc B family 0.0023 0.0867 0.1504
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0425 0.0533
Treponema pallidum NADH oxidase 0.0019 0.0689 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0111 0.5439 0.5
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0057 0.0222
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0689 0.1175
Echinococcus granulosus dna polymerase kappa 0.0023 0.0867 0.0692
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0689 0.0512
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0689 0.1175
Loa Loa (eye worm) RecQ helicase 0.0028 0.1153 0.1569
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.5439 1
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0473 0.0869
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.2475 0.2432
Schistosoma mansoni hypothetical protein 0.0198 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Brugia malayi MH2 domain containing protein 0.001 0.0188 0.0189
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0867 0.0814
Giardia lamblia Kinase, PLK 0.0111 0.5439 1
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.5439 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0689 0.1175
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.2569 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.115
Schistosoma mansoni smad1 5 8 and 0.001 0.0188 0.0131
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Schistosoma mansoni Smad4 0.001 0.0188 0.0131
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.6254 0.8837
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0188 0.0187
Schistosoma mansoni smad1 5 8 and 0.001 0.0188 0.0131
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0689 0.1175
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.2475 0.2331
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0502 0.0827
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0867 0.1159
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.5439 1
Plasmodium falciparum thioredoxin reductase 0.0019 0.0689 0.2517
Brugia malayi Smad1 0.001 0.0188 0.0189
Brugia malayi MH2 domain containing protein 0.001 0.0188 0.0189
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.2475 0.3506
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0689 0.0436
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0689 0.1175
Schistosoma mansoni DNA helicase recq1 0.0012 0.0296 0.024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.2475 0.2331
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0689 0.1175
Echinococcus granulosus bloom syndrome protein 0.0028 0.1153 0.0984
Trichomonas vaginalis DNA helicase recq1, putative 0.0028 0.1153 0.137
Brugia malayi glutathione reductase 0.0055 0.2569 0.3642
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.6986 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.6254 0.8837
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.1504
Schistosoma mansoni hypothetical protein 0.0198 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.2475 0.2432
Brugia malayi MH1 domain containing protein 0.001 0.0188 0.0189
Trypanosoma brucei unspecified product 0.0023 0.0867 0.1504
Schistosoma mansoni blooms syndrome DNA helicase 0.0022 0.0846 0.0793
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0689 0.1175
Echinococcus multilocularis geminin 0.0198 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0502 0.0827
Leishmania major DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0867 0.0281
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.6254 0.8837
Loa Loa (eye worm) Smad1 0.001 0.0188 0.0187
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0689 0.7811
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0689 0.2684
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0867 0.0692
Trypanosoma brucei trypanothione reductase 0.0055 0.2569 0.4668
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.2475 0.2331
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.0773
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2537 0.4157
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0867 0.1594
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.5439 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.0296 0.0949
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Trypanosoma cruzi polo-like protein kinase, putative 0.0111 0.5439 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0867 0.1504
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.1607 0.2879
Trypanosoma brucei DNA polymerase eta, putative 0.0052 0.2416 0.4384
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0689 0.1175
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0976 0.3657
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0689 0.0436
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.2569 0.3596
Leishmania major DNA polymerase eta, putative 0.0037 0.1607 0.2879
Toxoplasma gondii thioredoxin reductase 0.0055 0.2569 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.2569 0.2427
Brugia malayi MH1 domain containing protein 0.001 0.0188 0.0189
Brugia malayi ImpB/MucB/SamB family protein 0.0052 0.2416 0.342
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0689 0.0512
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.2569 0.2985
Echinococcus multilocularis dna polymerase eta 0.0052 0.2416 0.2271
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.2475 0.2331
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0689 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0111 0.5439 0.5351
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0689 0.1175
Loa Loa (eye worm) hypothetical protein 0.0012 0.0296 0.0341
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.6986 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0689 0.1175
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0867 0.0793
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0689 0.1175
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.5439 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0867 0.0692
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.1881 0.1835
Brugia malayi serine/threonine-protein kinase plk-2 0.0111 0.5439 0.7802
Trypanosoma brucei unspecified product 0.0016 0.0502 0.0827
Schistosoma mansoni hypothetical protein 0.0042 0.1881 0.1835
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.0346
Schistosoma mansoni kinase 0.0056 0.2613 0.257
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0689 0.1175
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0296 0.011
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0689 0.2684
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0296 0.011
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.6955 0.9874
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.0346
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.1881 0.1726
Entamoeba histolytica hypothetical protein 0.0042 0.1881 0.3459
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0689 0.2517
Loa Loa (eye worm) hypothetical protein 0.0142 0.7043 1
Echinococcus granulosus dna polymerase eta 0.0052 0.2416 0.2271
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0111 0.5439 1
Loa Loa (eye worm) glutathione reductase 0.0055 0.2569 0.3596
Plasmodium falciparum glutathione reductase 0.0019 0.0689 0.2517
Trichomonas vaginalis DNA helicase recq, putative 0.0028 0.1153 0.137
Brugia malayi MH2 domain containing protein 0.014 0.6955 1
Brugia malayi Thioredoxin reductase 0.0055 0.2569 0.3642
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0867 0.0814
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0689 0.0917
Trypanosoma cruzi DNA polymerase eta, putative 0.0052 0.2416 0.4384
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0111 0.5439 0.5351
Entamoeba histolytica serine/threonine protein kinase, putative 0.0111 0.5439 1
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0689 0.1175
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.5439 0.5412
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0019 0.068 0.248
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.1504
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.6254 0.8837
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0296 0.0443
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.0773
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2537 0.4157
Brugia malayi hypothetical protein 0.0042 0.1881 0.2645
Trypanosoma brucei unspecified product 0.0016 0.0502 0.0827
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.1607 0.6254
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0689 0.1175
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.5439 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Schistosoma mansoni smad1 5 8 and 0.001 0.0188 0.0131
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.1504
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.2569 0.4668
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0689 0.0636
Plasmodium falciparum glutathione reductase 0.0055 0.2569 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0296 0.011
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0867 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0689 0.2517
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0867 0.0281
Plasmodium vivax glutathione reductase, putative 0.0055 0.2569 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0689 0.7811
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.1504
Echinococcus multilocularis bloom syndrome protein 0.0028 0.1153 0.0984
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0689 0.1175
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0689 0.7811
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.6955 0.9874

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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