Detailed information for compound 778717

Basic information

Technical information
  • TDR Targets ID: 778717
  • Name: N-[2-[(2E)-2-[(4-chloro-3-nitrophenyl)methyli dene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxyben zamide
  • MW: 420.804 | Formula: C18H17ClN4O6
  • H donors: 2 H acceptors: 4 LogP: 2.58 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)NCC(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl
  • InChi: 1S/C18H17ClN4O6/c1-28-15-6-4-12(8-16(15)29-2)18(25)20-10-17(24)22-21-9-11-3-5-13(19)14(7-11)23(26)27/h3-9H,10H2,1-2H3,(H,20,25)(H,22,24)/b21-9+
  • InChiKey: OVZHZLYPTFZDMT-ZVBGSRNCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
  • N-[2-[N'-[(4-chloro-3-nitro-phenyl)methylene]hydrazino]-2-oxo-ethyl]-3,4-dimethoxy-benzamide
  • N-[2-[(N'E)-N'-[(4-chloro-3-nitro-phenyl)methylene]hydrazino]-2-oxo-ethyl]-3,4-dimethoxy-benzamide
  • N-[2-[N'-[(4-chloro-3-nitrophenyl)methylene]hydrazino]-2-oxoethyl]-3,4-dimethoxybenzamide
  • N-[2-[(N'E)-N'-[(4-chloro-3-nitrophenyl)methylene]hydrazino]-2-oxoethyl]-3,4-dimethoxybenzamide
  • N-[2-[N'-(4-chloro-3-nitro-benzylidene)hydrazino]-2-keto-ethyl]-3,4-dimethoxy-benzamide
  • N-[2-[(N'E)-N'-(4-chloro-3-nitro-benzylidene)hydrazino]-2-keto-ethyl]-3,4-dimethoxy-benzamide
  • N-[2-[2-[(4-chloro-3-nitro-phenyl)methylidene]hydrazinyl]-2-oxo-ethyl]-3,4-dimethoxy-benzamide
  • N-[2-[(2E)-2-[(4-chloro-3-nitro-phenyl)methylidene]hydrazinyl]-2-oxo-ethyl]-3,4-dimethoxy-benzamide
  • A0463/0021380

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
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0102 0.3902 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.9411 0.978
Plasmodium vivax glutathione reductase, putative 0.0039 0.107 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0276 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0276 0.0287
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0276 0.0287
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1486 0.1544
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0276 0.0287
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0985 0.1024
Echinococcus granulosus pyruvate kinase 0.0019 0.0189 0.0197
Leishmania major pyruvate kinase 0.0038 0.1021 0.0122
Loa Loa (eye worm) hypothetical protein 0.0021 0.0276 0.0287
Loa Loa (eye worm) hypothetical protein 0.0037 0.0985 0.1024
Schistosoma mansoni coup transcription factor 0.0021 0.0276 0.0385
Onchocerca volvulus 0.0047 0.1415 0.1722
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.3321 0.2592
Echinococcus multilocularis mitogen activated protein kinase 3 0.0102 0.3902 0.4054
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.3769 0.3088
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.9623 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0276 0.0287
Trypanosoma brucei pyruvate kinase 1 0.0038 0.1021 0.0122
Echinococcus granulosus mitogen activated protein kinase 0.0102 0.3902 0.4054
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0798 0.0829
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0276 0.0287
Trypanosoma brucei protein kinase, putative 0.0102 0.3902 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0276 0.0287
Onchocerca volvulus 0.0037 0.0985 0.1071
Echinococcus granulosus pyruvate kinase 0.0038 0.1021 0.1061
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0276 0.0385
Schistosoma mansoni hypothetical protein 0.0175 0.7185 1
Trypanosoma brucei trypanothione reductase 0.0039 0.107 0.0291
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0985 0.1024
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0276 0.0385
Loa Loa (eye worm) hypothetical protein 0.0021 0.0276 0.0287
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.3902 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0276 0.0287
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0276 0.0385
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.3321 0.2592
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.107 0.0094
Brugia malayi glutathione reductase 0.0039 0.107 0.1112
Echinococcus granulosus pyruvate kinase 0.0019 0.0189 0.0197
Plasmodium falciparum glutathione reductase 0.0039 0.107 1
Chlamydia trachomatis pyruvate kinase 0.0038 0.1021 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0276 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0276 0.0287
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.0504 0.0523
Loa Loa (eye worm) hypothetical protein 0.0048 0.1486 0.1544
Toxoplasma gondii thioredoxin reductase 0.0039 0.107 0.2372
Entamoeba histolytica pyruvate kinase, putative 0.0026 0.0504 0.5
Brugia malayi MAP kinase sur-1 0.0102 0.3902 0.4054
Loa Loa (eye worm) hypothetical protein 0.0168 0.6892 0.7161
Schistosoma mansoni hypothetical protein 0.0033 0.0798 0.1111
Echinococcus multilocularis pyruvate kinase 0.0019 0.0189 0.0197
Loa Loa (eye worm) hypothetical protein 0.0229 0.9623 1
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.3902 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0276 0.0287
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.3902 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0985 0.1371
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0276 0.0385
Onchocerca volvulus 0.0037 0.0985 0.1071
Loa Loa (eye worm) hypothetical protein 0.0037 0.0985 0.1024
Schistosoma mansoni survival motor neuron protein 0.0047 0.1415 0.197
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.3321 0.2592
Loa Loa (eye worm) pyruvate kinase 0.0038 0.1021 0.1061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1486 0.1544
Giardia lamblia Kinase, CMGC MAPK 0.0102 0.3902 1
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.1021 0.0122
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0276 0.0385
Loa Loa (eye worm) hypothetical protein 0.0037 0.0985 0.1024
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.1021 0.0122
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0276 0.0287
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0102 0.3902 0.4054
Echinococcus multilocularis pyruvate kinase 0.0038 0.1021 0.1061
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.3902 0.543
Loa Loa (eye worm) pyruvate kinase 0.0038 0.1021 0.1061
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0276 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0276 0.0287
Loa Loa (eye worm) hypothetical protein 0.0021 0.0276 0.0287
Echinococcus multilocularis mitogen activated protein kinase 0.0102 0.3902 0.4054
Brugia malayi Thioredoxin reductase 0.0039 0.107 0.1112
Echinococcus granulosus geminin 0.0175 0.7185 0.7467
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0276 0.0287
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.1021 0.0128
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0102 0.3902 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0276 0.0287
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0276 0.0287
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.3769 0.3088
Brugia malayi follicle stimulating hormone receptor 0.0224 0.9411 0.978
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.1021 0.0122
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.1093 0.1136
Toxoplasma gondii ABC1 family protein 0.0037 0.0985 0.2144
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0276 0.0385
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0276 0.0287
Brugia malayi hypothetical protein 0.0229 0.9623 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0276 0.0385
Loa Loa (eye worm) hypothetical protein 0.0021 0.0276 0.0287
Leishmania major trypanothione reductase 0.0039 0.107 0.0291
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.1021 0.1125
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0276 0.0287
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1415 0.1471
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0276 0.0287
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0276 0.0385
Echinococcus granulosus pyruvate kinase 0.0019 0.0189 0.0197
Brugia malayi beta-lactamase family protein 0.0037 0.0985 0.1024
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0276 0.0287
Onchocerca volvulus 0.0168 0.6892 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0276 0.0287
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0276 0.0385
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0102 0.3902 1
Schistosoma mansoni hypothetical protein 0.0047 0.1415 0.197
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0276 0.0287
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.107 0.0291
Loa Loa (eye worm) hypothetical protein 0.0038 0.1021 0.1061
Mycobacterium tuberculosis Probable reductase 0.0089 0.3321 0.2592
Brugia malayi hypothetical protein 0.0168 0.6892 0.7161
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.9623 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.1021 0.0039
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0102 0.3902 1
Brugia malayi ecdysteroid receptor 0.0021 0.0276 0.0287
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.3769 1
Echinococcus multilocularis pyruvate kinase 0.0038 0.1021 0.1061
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0985 0.1024
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0985 0.1024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0276 0.0287
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.1021 0.224
Loa Loa (eye worm) hypothetical protein 0.0037 0.0985 0.1024
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.1021 0.1061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0276 0.0287
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1486 0.1544
Loa Loa (eye worm) hypothetical protein 0.0026 0.0504 0.0523
Loa Loa (eye worm) hypothetical protein 0.0037 0.0985 0.1024
Brugia malayi beta-lactamase family protein 0.0037 0.0985 0.1024
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0276 0.0287
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0276 0.0287
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0276 0.0385
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0276 0.0287
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0276 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0276 0.0287
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0276 0.0385
Brugia malayi nuclear hormone receptor 0.0021 0.0276 0.0287
Echinococcus multilocularis pyruvate kinase 0.003 0.0661 0.0687
Loa Loa (eye worm) pyruvate kinase 0.0038 0.1021 0.1061
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0102 0.3902 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0276 0.0287
Echinococcus granulosus pyruvate kinase 0.0038 0.1021 0.1061
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0102 0.3902 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.1021 0.1061
Echinococcus multilocularis geminin 0.0175 0.7185 0.7467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0276 0.0287
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.1021 0.1125
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0276 0.0385
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0276 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0276 0.0287
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0276 0.0287
Plasmodium vivax pyruvate kinase, putative 0.0038 0.1021 0.9442
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0276 0.0287
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.3321 0.2592
Loa Loa (eye worm) hypothetical protein 0.0021 0.0276 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0276 0.0287
Schistosoma mansoni hypothetical protein 0.0175 0.7185 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0102 0.3902 1
Brugia malayi nuclear receptor NHR-88 0.0021 0.0276 0.0287
Loa Loa (eye worm) hypothetical protein 0.0037 0.0985 0.1024
Loa Loa (eye worm) hypothetical protein 0.0021 0.0276 0.0287
Onchocerca volvulus 0.0037 0.0985 0.1071
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.3902 1
Echinococcus multilocularis pyruvate kinase 0.0019 0.0189 0.0197
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0276 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0276 0.0287
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.107 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0798 0.0829
Plasmodium falciparum thioredoxin reductase 0.0039 0.107 1
Leishmania major pyruvate kinase 0.0038 0.1021 0.0122
Schistosoma mansoni pyruvate kinase 0.0038 0.1021 0.142
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.3321 0.2592
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.1093 0.1136
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.1021 0.0122
Schistosoma mansoni pyruvate kinase 0.0038 0.1021 0.142
Mycobacterium ulcerans pyruvate kinase 0.0038 0.1021 1
Loa Loa (eye worm) glutathione reductase 0.0039 0.107 0.1112
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0276 0.0287
Brugia malayi beta-lactamase 0.0037 0.0985 0.1024
Loa Loa (eye worm) beta-lactamase 0.0037 0.0985 0.1024
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.107 0.1112
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0985 0.1371
Giardia lamblia Pyruvate kinase 0.0038 0.1021 0.224
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.1021 0.0122
Echinococcus granulosus mitogen activated protein kinase 3 0.0102 0.3902 0.4054
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.1021 0.1125
Echinococcus multilocularis pyruvate kinase 0.0019 0.0189 0.0197
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0276 0.0287
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0089 0.3321 0.8393
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0276 0.0287
Plasmodium falciparum pyruvate kinase 0.0038 0.1021 0.9442
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0102 0.3902 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0276 0.0287
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0985 0.9038
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.3769 0.3088
Schistosoma mansoni pyruvate kinase 0.0019 0.0189 0.0263
Brugia malayi steroid hormone receptor 0.0021 0.0276 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0276 0.0287

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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