Detailed information for compound 784757

Basic information

Technical information
  • TDR Targets ID: 784757
  • Name: 2-(3-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl )methylideneamino]acetamide
  • MW: 389.359 | Formula: C18H19N3O7
  • H donors: 1 H acceptors: 3 LogP: 2.61 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C=NNC(=O)COc2cccc(c2)[N+](=O)[O-])cc(c1OC)OC
  • InChi: 1S/C18H19N3O7/c1-25-15-7-12(8-16(26-2)18(15)27-3)10-19-20-17(22)11-28-14-6-4-5-13(9-14)21(23)24/h4-10H,11H2,1-3H3,(H,20,22)/b19-10+
  • InChiKey: YJRJAJZUZCWVBI-VXLYETTFSA-N  

Network

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Synonyms

  • 2-(3-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyleneamino]acetamide
  • 2-(3-nitrophenoxy)-N-[(3,4,5-trimethoxybenzylidene)amino]acetamide
  • 2-(3-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide

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
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0147 0.7281
Plasmodium vivax thioredoxin reductase, putative 0.0094 0.0193 0.4919
Trichomonas vaginalis esterase, putative 0.0077 0.0147 1
Entamoeba histolytica hypothetical protein 0.0037 0.0037 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0054 0.0084 0.1735
Mycobacterium tuberculosis Probable lipase LipE 0.0077 0.0147 0.0224
Schistosoma mansoni hypothetical protein 0.0038 0.0039 0.0015
Mycobacterium tuberculosis Probable hydrolase 0.0077 0.0147 0.0224
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0238 0.0591 0.1032
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0024 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.0147 0.2412
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0288 0.4368
Toxoplasma gondii ABC1 family protein 0.0077 0.0147 0.3582
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0147 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0238 0.0591 0.1032
Trypanosoma brucei trypanothione reductase 0.0094 0.0193 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.0195 0.0171
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0087 0.0847
Echinococcus multilocularis peptidase Clp (S14 family) 0.0103 0.0218 0.0195
Brugia malayi beta-lactamase family protein 0.0077 0.0147 0.2412
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.0609 0.0587
Brugia malayi beta-lactamase 0.0077 0.0147 0.2412
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2027 0.5518 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.0147 0.19
Loa Loa (eye worm) hypothetical protein 0.0156 0.0363 0.5685
Mycobacterium leprae conserved hypothetical protein 0.0077 0.0147 0.0117
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0054 0.0084 0.1735
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0157 0.0368 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0147 0.19
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0147 0.0123
Loa Loa (eye worm) hypothetical protein 0.0077 0.0147 0.19
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0087 0.1426
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0103 0.0218 0.0354
Echinococcus multilocularis microtubule associated protein 2 0.3653 1 1
Leishmania major hypothetical protein, conserved 0.0077 0.0147 0.7281
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0214 0.0525 0.0912
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0039 0.0633
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.0195 0.0171
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0157 0.0368 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.0609 1
Schistosoma mansoni hypothetical protein 0.005 0.0072 0.0048
Mycobacterium tuberculosis Conserved protein 0.0077 0.0147 0.0224
Mycobacterium ulcerans beta-lactamase 0.0077 0.0147 0.0224
Loa Loa (eye worm) hypothetical protein 0.0077 0.0147 0.19
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0157 0.0368 0.0522
Brugia malayi glutathione reductase 0.0094 0.0193 0.3167
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0072 0.1179
Mycobacterium tuberculosis Probable esterase LipL 0.0077 0.0147 0.0224
Mycobacterium tuberculosis Probable lipase LipD 0.0077 0.0147 0.0224
Plasmodium vivax glutathione reductase, putative 0.0094 0.0193 0.4919
Leishmania major trypanothione reductase 0.0094 0.0193 1
Onchocerca volvulus 0.0077 0.0147 0.2581
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0157 0.0368 1
Brugia malayi hypothetical protein 0.0245 0.0609 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0094 0.0193 0.0308
Onchocerca volvulus 0.0156 0.0363 1
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0147 0.7281
Mycobacterium tuberculosis Conserved protein 0.0077 0.0147 0.0224
Brugia malayi beta-lactamase family protein 0.0077 0.0147 0.2412
Schistosoma mansoni survival motor neuron protein 0.005 0.0072 0.0048
Schistosoma mansoni peptidase Clp (S14 family) 0.0157 0.0368 0.0345
Mycobacterium ulcerans AcrR family transcriptional regulator 0.203 0.5529 1
Brugia malayi Thioredoxin reductase 0.0094 0.0193 0.3167
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.0609 0.0587
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0103 0.0218 0.0354
Loa Loa (eye worm) hypothetical protein 0.0157 0.0368 0.5767
Mycobacterium ulcerans esterase/lipase LipP 0.0077 0.0147 0.0224
Mycobacterium ulcerans transcriptional regulator 0.203 0.5529 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0087 0.0847
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0077 0.0147 0.0224
Mycobacterium tuberculosis Conserved protein 0.0077 0.0147 0.0224
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0157 0.0368 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0157 0.0368 0.0625
Brugia malayi hypothetical protein 0.0037 0.0037 0.0604
Brugia malayi Probable ClpP-like protease 0.0157 0.0368 0.6035
Schistosoma mansoni cellular tumor antigen P53 0.0156 0.0363 0.034
Echinococcus granulosus tumor protein p63 0.1064 0.2865 0.2848
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0077 0.0147 0.0224
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0214 0.0525 0.0912
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0147 1
Toxoplasma gondii thioredoxin reductase 0.0094 0.0193 0.4919
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0147 1
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0147 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0214 0.0525 0.0912
Mycobacterium tuberculosis Probable reductase 0.0214 0.0525 0.0912
Onchocerca volvulus 0.0077 0.0147 0.2581
Plasmodium falciparum thioredoxin reductase 0.0094 0.0193 0.4919
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0037 0.0013
Loa Loa (eye worm) glutathione reductase 0.0094 0.0193 0.2706
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0037 0.0013
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0087 0.1426
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0147 0.3582
Entamoeba histolytica hypothetical protein 0.0037 0.0037 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0214 0.0525 0.0912
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0157 0.0368 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0077 0.0147 0.0224
Mycobacterium ulcerans TetR family transcriptional regulator 0.203 0.5529 1
Brugia malayi MH2 domain containing protein 0.0128 0.0288 0.4724
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.203 0.5529 1
Schistosoma mansoni hypothetical protein 0.0037 0.0037 0.0013
Mycobacterium ulcerans hypothetical protein 0.0077 0.0147 0.0224
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0054 0.0084 0.1735
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0494 0.1294 0.2313
Entamoeba histolytica hypothetical protein 0.0037 0.0037 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0037 0.0013
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0103 0.0218 0.0248
Schistosoma mansoni microtubule-associated protein tau 0.3653 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0147 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0214 0.0525 0.0912
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0157 0.0368 0.0345
Entamoeba histolytica hypothetical protein 0.0037 0.0037 0.5
Loa Loa (eye worm) beta-lactamase 0.0077 0.0147 0.19
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0157 0.0368 1
Toxoplasma gondii hypothetical protein 0.0054 0.0084 0.1735
Mycobacterium ulcerans lipase LipD 0.0077 0.0147 0.0224
Loa Loa (eye worm) hypothetical protein 0.0077 0.0147 0.19
Mycobacterium leprae Probable lipase LipE 0.0077 0.0147 0.0117
Echinococcus granulosus peptidase Clp S14 family 0.0103 0.0218 0.0195
Mycobacterium tuberculosis Probable oxidoreductase 0.0238 0.0591 0.1032
Echinococcus multilocularis tumor protein p63 0.1064 0.2865 0.2848
Loa Loa (eye worm) thioredoxin reductase 0.0094 0.0193 0.2706
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0147 0.7281
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0288 0.4368
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0147 0.0123
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0157 0.0368 1
Plasmodium falciparum glutathione reductase 0.0094 0.0193 0.4919
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0214 0.0525 0.081
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0024 0.0391
Trypanosoma cruzi trypanothione reductase, putative 0.0094 0.0193 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.0147 0.0123
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0157 0.0368 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.0147 0.0123
Loa Loa (eye worm) hypothetical protein 0.0077 0.0147 0.19
Loa Loa (eye worm) hypothetical protein 0.0077 0.0147 0.19
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0157 0.0368 0.0345
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0157 0.0368 0.0625
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0238 0.0591 0.0931
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0077 0.0147 0.0224
Onchocerca volvulus 0.0077 0.0147 0.2581

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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