Detailed information for compound 816593

Basic information

Technical information
  • TDR Targets ID: 816593
  • Name: 2-ethyl-1-[(4-nitrophenyl)methyl]benzimidazol e
  • MW: 281.309 | Formula: C16H15N3O2
  • H donors: 0 H acceptors: 3 LogP: 3.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])cccc2
  • InChi: 1S/C16H15N3O2/c1-2-16-17-14-5-3-4-6-15(14)18(16)11-12-7-9-13(10-8-12)19(20)21/h3-10H,2,11H2,1H3
  • InChiKey: VEHUKOKYDKXQSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-ethyl-1-(4-nitrobenzyl)benzimidazole
  • ZINC00349731
  • Oprea1_139932
  • BIM-0008807.P001
  • STK039127
  • CBMicro_008865

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 pteridine reductase 1 0.004 0.0253 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0211 0.0211
Brugia malayi hypothetical protein 0.0231 0.314 0.4821
Loa Loa (eye worm) hypothetical protein 0.0041 0.0277 0.0173
Brugia malayi hypothetical protein 0.0453 0.6475 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0211 0.0211
Echinococcus multilocularis muscleblind protein 1 0.0149 0.1896 0.1896
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0547 0.0547
Trypanosoma brucei pteridine reductase 1 0.004 0.0253 0.5
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0585 0.8459 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0348 0.0348
Schistosoma mansoni lozenge 0.0057 0.0512 0.0512
Loa Loa (eye worm) hypothetical protein 0.0076 0.0807 0.1013
Trichomonas vaginalis hypothetical protein 0.0585 0.8459 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.004 0.0253 0.0253
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.314 0.314
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.004 0.0253 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0368 0.0515
Loa Loa (eye worm) hypothetical protein 0.005 0.0404 0.0375
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.314 0.314
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0348 0.0348
Echinococcus multilocularis microtubule associated protein 2 0.0687 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0585 0.8459 0.907
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0139 0.1742 1
Echinococcus multilocularis Protein lozenge 0.0057 0.0512 0.0512
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0641 0.93 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.1896 0.274
Trypanosoma brucei oxidoreductase-like protein 0.004 0.0253 0.5
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.004 0.0253 0.0253
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0211 0.0211
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.004 0.0253 0.0337
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0204 0.0204
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.004 0.0253 0.0276
Echinococcus granulosus muscleblind protein 0.0149 0.1896 0.1896
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0076 0.0807 0.0807
Onchocerca volvulus 0.0453 0.6475 0.9622
Brugia malayi Bromodomain containing protein 0.0076 0.0798 0.1183
Brugia malayi Pre-SET motif family protein 0.0059 0.0547 0.0794
Schistosoma mansoni bromodomain containing protein 0.0064 0.062 0.062
Loa Loa (eye worm) oxidoreductase 0.004 0.0253 0.0135
Echinococcus multilocularis geminin 0.0333 0.4672 0.4672
Schistosoma mansoni hypothetical protein 0.0047 0.0368 0.0368
Schistosoma mansoni hypothetical protein 0.0037 0.0211 0.0211
Treponema pallidum fructose-bisphosphate aldolase 0.0139 0.1742 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0641 0.93 1
Schistosoma mansoni microtubule-associated protein tau 0.0687 1 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.004 0.0253 0.0135
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0547 0.0358
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0585 0.8459 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0404 0.0572
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0348 0.0484
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.004 0.0253 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0139 0.1742 0.5
Leishmania major dehydrogenase/oxidoreductase-like protein 0.004 0.0253 0.5
Plasmodium vivax SET domain protein, putative 0.0059 0.0547 0.0358
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0412 0.5862 0.9028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0547 0.0547
Loa Loa (eye worm) hypothetical protein 0.0043 0.0306 0.0219
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0585 0.8459 0.907
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0348 0.0285
Leishmania major oxidoreductase-like protein 0.004 0.0253 0.5
Onchocerca volvulus 0.0047 0.0368 0.0177
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0348 0.0348
Schistosoma mansoni hypothetical protein 0.0034 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.004 0.0253 0.0135
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0547 0.0547
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0585 0.8459 0.907
Loa Loa (eye worm) hypothetical protein 0.0231 0.314 0.4712
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0204 0.0204
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0348 0.0348
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0076 0.0807 0.0807
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.004 0.0253 0.0135
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0404 0.0375
Onchocerca volvulus 0.0059 0.0547 0.0455
Echinococcus multilocularis muscleblind protein 0.0149 0.1896 0.1896
Loa Loa (eye worm) hypothetical protein 0.0149 0.1896 0.274
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0168 0.0205
Schistosoma mansoni hypothetical protein 0.0333 0.4672 0.4672
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0641 0.93 1
Schistosoma mansoni hypothetical protein 0.0333 0.4672 0.4672
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0585 0.8459 1
Loa Loa (eye worm) hypothetical protein 0.0453 0.6475 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0404 0.0572
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0565 0.0565
Trichomonas vaginalis set domain proteins, putative 0.0469 0.672 0.741
Loa Loa (eye worm) hypothetical protein 0.0071 0.0733 0.0896
Leishmania major 3-oxoacyl-ACP reductase, putative 0.004 0.0253 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0585 0.8459 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0076 0.0807 0.0807
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0565 0.0565
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0076 0.0807 0.0807
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0348 0.0348
Trypanosoma cruzi oxidoreductase-like protein, putative 0.004 0.0253 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.004 0.0253 0.0337
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0514 0.0514
Echinococcus granulosus geminin 0.0333 0.4672 0.4672
Schistosoma mansoni dihydropteridine reductase 0.004 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0453 0.6475 1
Brugia malayi hypothetical protein 0.0037 0.0211 0.0272
Brugia malayi Pre-SET motif family protein 0.0412 0.5862 0.9048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0348 0.0348
Brugia malayi Bromodomain containing protein 0.0039 0.024 0.0316
Brugia malayi Muscleblind-like protein 0.0149 0.1896 0.2889
Leishmania major dehydrogenase/oxidoreductase-like protein 0.004 0.0253 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0241 0.0115
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0139 0.1742 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0348 0.0348
Plasmodium falciparum enoyl-acyl carrier reductase 0.0585 0.8459 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.004 0.0253 0.5
Schistosoma mansoni survival motor neuron protein 0.0047 0.0368 0.0368
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.004 0.0253 0.0253
Loa Loa (eye worm) runx1 0.0057 0.0512 0.0546
Onchocerca volvulus 0.0469 0.672 1

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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