Detailed information for compound 584050

Basic information

Technical information
  • TDR Targets ID: 584050
  • Name: 1-[(4-nitrophenyl)methyl]pyrrolidine-2,5-dion e
  • MW: 234.208 | Formula: C11H10N2O4
  • H donors: 0 H acceptors: 4 LogP: 0.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(=O)N1Cc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C11H10N2O4/c14-10-5-6-11(15)12(10)7-8-1-3-9(4-2-8)13(16)17/h1-4H,5-7H2
  • InChiKey: WOBQJJNDLQXMSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-nitrobenzyl)pyrrolidine-2,5-quinone
  • 4-nitrobenzylmaleimide
  • 80301-56-0
  • para-Nitrobenzylmaleimide
  • 2,5-Pyrrolidinedione, 1-((4-nitrophenyl)methyl)-

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
Brugia malayi beta-lactamase family protein 0.0035 0.0076 0.0076
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0365 0.5906 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0112 0.1438 0.1756
Loa Loa (eye worm) TK/EGFR protein kinase 0.035 0.5652 0.5652
Echinococcus multilocularis expressed conserved protein 0.0091 0.1067 0.1303
Schistosoma mansoni tyrosine kinase 0.0112 0.1438 0.1756
Schistosoma mansoni hypothetical protein 0.0097 0.1181 0.1443
Loa Loa (eye worm) hypothetical protein 0.0035 0.0076 0.0076
Leishmania major fatty acid transporter protein-like protein 0.0365 0.5906 1
Echinococcus multilocularis neuropeptide receptor 0.0157 0.223 0.2724
Echinococcus granulosus epidermal growth factor receptor 0.035 0.5652 0.6903
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.1169 0.1169
Echinococcus multilocularis G protein coupled receptor 139 0.0157 0.223 0.2724
Loa Loa (eye worm) MH2 domain-containing protein 0.0596 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0076 0.0093
Onchocerca volvulus 0.0097 0.1181 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0087 0.0106
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0076 0.0076
Echinococcus multilocularis geminin 0.0494 0.8187 1
Schistosoma mansoni Smad4 0.0041 0.0177 0.0216
Schistosoma mansoni hypothetical protein 0.004 0.0167 0.0204
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.117 0.1429
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0097 0.117 0.117
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.117 0.117
Loa Loa (eye worm) Smad1 0.0041 0.0177 0.0177
Schistosoma mansoni smad1 5 8 and 0.0041 0.0177 0.0216
Brugia malayi Smad1 0.0041 0.0177 0.0177
Echinococcus granulosus expressed conserved protein 0.0091 0.1067 0.1303
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0628 0.0628
Schistosoma mansoni tyrosine kinase 0.0188 0.2786 0.3403
Brugia malayi MH2 domain containing protein 0.0041 0.0177 0.0177
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0193 0.0236
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0328 0.5
Loa Loa (eye worm) fli-1 protein 0.0213 0.3225 0.3225
Schistosoma mansoni smad 0.0041 0.0177 0.0216
Brugia malayi MH1 domain containing protein 0.0041 0.0177 0.0177
Brugia malayi Ets-domain containing protein 0.007 0.0699 0.0699
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0241 0.0295
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.1905 0.2326
Loa Loa (eye worm) hypothetical protein 0.0097 0.1169 0.1169
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0193 0.0193
Leishmania major hypothetical protein, conserved 0.0049 0.0328 0.0432
Echinococcus granulosus geminin 0.0494 0.8187 1
Schistosoma mansoni tyrosine kinase 0.0186 0.2751 0.336
Schistosoma mansoni tyrosine kinase 0.0112 0.1438 0.1756
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.1905 0.2326
Brugia malayi Furin-like cysteine rich region family protein 0.035 0.5652 0.5652
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0328 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0188 0.2786 0.3403
Schistosoma mansoni hypothetical protein 0.0494 0.8187 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0328 0.0328
Echinococcus granulosus epidermal growth factor receptor 0.0188 0.2786 0.3403
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0097 0.1181 0.1181
Loa Loa (eye worm) hypothetical protein 0.0035 0.0076 0.0076
Brugia malayi MH2 domain containing protein 0.0041 0.0177 0.0177
Schistosoma mansoni hypothetical protein 0.0494 0.8187 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.1169 0.1169
Loa Loa (eye worm) transcription factor SMAD2 0.0596 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0478 0.7902 0.9652
Echinococcus multilocularis long chain fatty acid transport protein 4 0.037 0.5992 0.7318
Brugia malayi hypothetical protein 0.0478 0.7902 0.7902
Loa Loa (eye worm) hypothetical protein 0.0042 0.0193 0.0193
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0177 0.0216
Schistosoma mansoni hypothetical protein 0.004 0.0167 0.0204
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0241 0.0295
Schistosoma mansoni tyrosine kinase 0.035 0.5652 0.6903
Echinococcus granulosus insulin receptor 0.0112 0.1438 0.1756
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0177 0.0216
Echinococcus multilocularis Smad4 0.0041 0.0177 0.0216
Schistosoma mansoni hypothetical protein 0.004 0.0167 0.0204
Loa Loa (eye worm) hypothetical protein 0.006 0.0519 0.0519
Echinococcus multilocularis insulin receptor 0.0112 0.1438 0.1756
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0365 0.5906 1
Brugia malayi hypothetical protein 0.0032 0.002 0.002
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0328 0.5
Schistosoma mansoni FFA transport protein 0.037 0.5992 0.7318
Brugia malayi Fli-1 protein 0.0213 0.3225 0.3225
Echinococcus multilocularis survival motor neuron protein 1 0.0478 0.7902 0.9652
Brugia malayi hypothetical protein 0.0036 0.0087 0.0087
Brugia malayi beta-lactamase family protein 0.0035 0.0076 0.0076
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0177 0.0216
Echinococcus multilocularis protein patched 0.0042 0.0193 0.0236
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0381 0.6203 0.6203
Echinococcus granulosus smad 0.0041 0.0177 0.0216
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0177 0.0216
Loa Loa (eye worm) hypothetical protein 0.0035 0.0076 0.0076
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.3404 0.5708
Loa Loa (eye worm) hypothetical protein 0.0066 0.0628 0.0628
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0328 1
Echinococcus multilocularis 0.0108 0.1376 0.168
Schistosoma mansoni tyrosine kinase 0.0186 0.2751 0.336
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0193 0.0236
Loa Loa (eye worm) beta-lactamase 0.0035 0.0076 0.0076
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0035 0.0076 0.0076
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0328 1
Echinococcus multilocularis smad 0.0041 0.0177 0.0216
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0241 0.0295
Schistosoma mansoni neuropeptide receptor 0.0157 0.223 0.2724
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0381 0.6203 1
Schistosoma mansoni smad1 5 8 and 0.0041 0.0177 0.0216
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0177 0.0177
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0241 0.0295
Echinococcus multilocularis epidermal growth factor receptor 0.035 0.5652 0.6903
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0241 0.0295
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.037 0.5992 1
Schistosoma mansoni tyrosine kinase 0.0188 0.2786 0.3403
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0177 0.0216
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.117 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0241 0.0295
Brugia malayi AMP-binding enzyme family protein 0.0381 0.6203 0.6203
Brugia malayi hypothetical protein 0.0049 0.0328 0.0328
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0328 0.0426
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0076 0.0093
Echinococcus granulosus Smad4 0.0041 0.0177 0.0216
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.117 0.1429
Loa Loa (eye worm) hypothetical protein 0.0035 0.0076 0.0076
Brugia malayi Ets-domain containing protein 0.007 0.0699 0.0699
Schistosoma mansoni tyrosine kinase 0.0186 0.2751 0.336
Echinococcus multilocularis protein dispatched 1 0.0047 0.0297 0.0363
Schistosoma mansoni hypothetical protein 0.0036 0.0087 0.0106
Brugia malayi CHE-14 protein 0.0042 0.0193 0.0193
Schistosoma mansoni hypothetical protein 0.0066 0.0628 0.0767
Brugia malayi MH1 domain containing protein 0.0041 0.0177 0.0177
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0087 0.0106
Schistosoma mansoni gabp alpha 0.007 0.0699 0.0854
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.0699 0.0699
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0076 0.0093
Schistosoma mansoni survival motor neuron protein 0.0097 0.1181 0.1443
Schistosoma mansoni ets-related 0.0213 0.3225 0.3938
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0193 0.0236
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.037 0.5992 1
Schistosoma mansoni hypothetical protein 0.004 0.0167 0.0204
Schistosoma mansoni smad1 5 8 and 0.0041 0.0177 0.0216
Brugia malayi Protein kinase domain containing protein 0.0112 0.1438 0.1438
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0076 0.0093
Loa Loa (eye worm) TK/INSR protein kinase 0.0112 0.1438 0.1438
Loa Loa (eye worm) hypothetical protein 0.0478 0.7902 0.7902
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0241 0.0241
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0241 0.0295
Echinococcus granulosus long chain fatty acid transport protein 4 0.037 0.5992 0.7318
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0112 0.1438 0.1756
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1197 0.1462
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.0699 0.0854
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0193 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0087 0.0106
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0328 0.0426
Echinococcus multilocularis epidermal growth factor receptor 0.0188 0.2786 0.3403
Brugia malayi beta-lactamase 0.0035 0.0076 0.0076
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0076 0.0076
Echinococcus granulosus neuropeptide receptor 0.0157 0.223 0.2724
Echinococcus granulosus GA binding protein alpha chain 0.007 0.0699 0.0854
Loa Loa (eye worm) hypothetical protein 0.0035 0.0076 0.0076
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0051 0.0359 0.0359
Schistosoma mansoni patched 1 0.0042 0.0193 0.0236

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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