Detailed information for compound 542725

Basic information

Technical information
  • TDR Targets ID: 542725
  • Name: 1-benzyl-1-(2-chloroethylazo)-3-methyl-urea
  • MW: 254.716 | Formula: C11H15ClN4O
  • H donors: 1 H acceptors: 1 LogP: 2.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC/N=N/N(C(=O)NC)Cc1ccccc1
  • InChi: 1S/C11H15ClN4O/c1-13-11(17)16(15-14-8-7-12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,17)/b15-14+
  • InChiKey: ZMYGSWYQYMTZAF-CCEZHUSRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-benzyl-1-(2-chloroethylazo)-3-methylurea
  • 1-(2-chloroethyldiazenyl)-3-methyl-1-(phenylmethyl)urea
  • 1-benzyl-1-(2-chloroethyldiazenyl)-3-methylurea
  • 1-(2-chloroethyl)-3-benzyl-3-(methylcarbamoyl)triazene

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 intermediate filament protein 0.0027 0.0038 0.0564
Schistosoma mansoni lipoxygenase 0.0055 0.0116 0.0529
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.0016
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0038 0.0624
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.0612 0.33
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0122 0.0562
Brugia malayi hypothetical protein 0.002 0.0018 0.0237
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0018 0.0099
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0417
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.0479
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0122 0.0655
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.021
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0096 0.1522
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0018 0.0099
Schistosoma mansoni lamin 0.0027 0.0038 0.0108
Schistosoma mansoni microtubule-associated protein tau 0.069 0.1855 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.021
Echinococcus granulosus lamin 0.0027 0.0038 0.0206
Schistosoma mansoni intermediate filament proteins 0.0027 0.0038 0.0108
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.0016
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.021
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0018 0.0099
Echinococcus multilocularis musashi 0.0027 0.0038 0.0206
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0131 0.0118
Brugia malayi hypothetical protein 0.0237 0.0612 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0038 0.0564
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.0016
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0029 0.0016
Echinococcus granulosus lamin dm0 0.0027 0.0038 0.0206
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0013 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0122 0.0109
Echinococcus multilocularis tumor protein p63 0.0338 0.089 0.4798
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0417
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0116 0.0623
Brugia malayi hypothetical protein 0.002 0.0018 0.0237
Onchocerca volvulus 0.0024 0.0029 0.1342
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0029 0.0016
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0131 0.0118
Echinococcus multilocularis lamin 0.0027 0.0038 0.0206
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.1231 0.6638
Echinococcus multilocularis lamin dm0 0.0027 0.0038 0.0206
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.1231 0.6638
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0131 0.0612
Echinococcus granulosus microtubule associated protein 2 0.069 0.1855 1
Onchocerca volvulus 0.0027 0.0038 0.2438
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0029 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0029 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0029 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0122 0.0111
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0029 0.0016
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.0479
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0131 0.0121
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0111 0.1812
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.0479
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0029 0.0016
Loa Loa (eye worm) doublecortin family protein 0.002 0.0018 0.03
Echinococcus granulosus neuropeptide s receptor 0.0463 0.1231 0.6638
Onchocerca volvulus 0.0049 0.01 1
Schistosoma mansoni lamin 0.0027 0.0038 0.0108
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0131 1
Echinococcus granulosus RUN 0.002 0.0018 0.0099
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0122 0.9094
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0018 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0122 0.1933
Loa Loa (eye worm) hypothetical protein 0.0026 0.0037 0.0602
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0417
Toxoplasma gondii pantoate-beta-alanine ligase 0.3664 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0004 0.0064
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0013 0.0003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0029 0.0019
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.021
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0122 0.0655
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0131 0.0705
Echinococcus multilocularis RUN 0.002 0.0018 0.0099
Mycobacterium ulcerans hypothetical protein 0.0024 0.0029 0.0016
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0038 0.0624
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.021
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0131 0.0612
Echinococcus granulosus intermediate filament protein 0.0027 0.0038 0.0206
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.0612 0.33
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0122 0.0109
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0131 0.0705
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0116 0.0623
Echinococcus granulosus tumor protein p63 0.0338 0.089 0.4798
Schistosoma mansoni hypothetical protein 0.0048 0.0096 0.0425
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0018 0.0099
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0029 0.0019
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0018 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0612 1
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.1231 0.6638
Schistosoma mansoni survival motor neuron protein 0.0048 0.0096 0.0425
Brugia malayi Doublecortin family protein 0.002 0.0018 0.0237
Loa Loa (eye worm) hypothetical protein 0.0049 0.01 0.1631
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.03
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0131 0.0118
Onchocerca volvulus 0.0027 0.0038 0.2438
Onchocerca volvulus 0.0048 0.0096 0.9588
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.01 0.0444
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.3664 1 1
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0018 0.0099
Echinococcus multilocularis microtubule associated protein 2 0.069 0.1855 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.03
Loa Loa (eye worm) hypothetical protein 0.0027 0.0038 0.0624
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0018 0.0099
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.3664 1 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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