Detailed information for compound 1127539

Basic information

Technical information
  • TDR Targets ID: 1127539
  • Name: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-iminobenzi midazol-1-yl]acetate
  • MW: 305.329 | Formula: C15H19N3O4
  • H donors: 0 H acceptors: 2 LogP: 1.59 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cn1c2ccccc2n(c1=N)CC(=O)OCC
  • InChi: 1S/C15H19N3O4/c1-3-21-13(19)9-17-11-7-5-6-8-12(11)18(15(17)16)10-14(20)22-4-2/h5-8,16H,3-4,9-10H2,1-2H3
  • InChiKey: QOXTXWYLEGRNLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)-2-imino-benzimidazol-1-yl]acetate
  • 2-[3-(2-ethoxy-2-oxoethyl)-2-imino-1-benzimidazolyl]acetic acid ethyl ester
  • 2-[3-(2-ethoxy-2-keto-ethyl)-2-imino-benzimidazol-1-yl]acetic acid ethyl ester
  • ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)-2-imino-benzimidazol-1-yl]ethanoate

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 UDP galactose 4'-epimerase 0.0293 0.8654 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0177 0.5093 1
Mycobacterium leprae POSSIBLE UDP-GLUCOSE 4-EPIMERASE GALE2 (GALACTOWALDENASE) (UDP-GALACTOSE 4-EPIMERASE) (URIDINE DIPHOSPHATE GALACTOSE 4-EPIMERASE 0.0012 0 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.109 0.109
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1003 0.1159
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0322 0.0372
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0293 0.8654 1
Brugia malayi MH2 domain containing protein 0.0133 0.373 0.4311
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0293 0.8654 1
Mycobacterium leprae conserved hypothetical protein 0.0012 0 0.5
Toxoplasma gondii hypothetical protein 0.0054 0.1304 0.1507
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0336 1 1
Plasmodium vivax GDP-L-fucose synthase, putative 0.0012 0 0.5
Toxoplasma gondii UDP-glucose 4-epimerase 0.0293 0.8654 1
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.373 0.4311
Onchocerca volvulus 0.0012 0 0.5
Echinococcus granulosus muscleblind protein 0.0166 0.476 0.55
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0336 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1003 0.1159
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0159 0.4539 0.4539
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.373 0.4311
Giardia lamblia UDP-glucose 4-epimerase 0.0305 0.9022 1
Brugia malayi Cytochrome P450 family protein 0.0022 0.0322 0.0372
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1003 0.1159
Trypanosoma brucei UDP-galactose 4-epimerase 0.0305 0.9022 0.9022
Brugia malayi Muscleblind-like protein 0.0166 0.476 0.55
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0293 0.8654 1
Brugia malayi follicle stimulating hormone receptor 0.0229 0.6699 0.7741
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.109 0.109
Echinococcus granulosus UDP glucose 4 epimerase 0.0293 0.8654 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1003 0.1159
Schistosoma mansoni UDP-glucose 4-epimerase 0.0293 0.8654 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0293 0.8654 0.8654
Plasmodium falciparum GDP-L-fucose synthase 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0336 1 1
Mycobacterium ulcerans hypothetical protein 0.0177 0.5093 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0293 0.8654 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1003 0.1159
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.109 0.109
Echinococcus multilocularis UDP glucose 4 epimerase 0.0293 0.8654 1
Leishmania major udp-glc 4-epimerase, putative 0.0305 0.9022 0.9022
Loa Loa (eye worm) hypothetical protein 0.0166 0.476 0.55
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1003 0.1159
Echinococcus multilocularis muscleblind protein 1 0.0166 0.476 0.55
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1003 0.1159
Onchocerca volvulus 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0166 0.476 0.55
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.6699 0.7741
Onchocerca volvulus 0.0012 0 0.5
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0293 0.8654 1
Echinococcus multilocularis muscleblind protein 0.0166 0.476 0.55
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0293 0.8654 0.8654
Wolbachia endosymbiont of Brugia malayi nucleoside-diphosphate-sugar epimerase 0.0012 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1003 0.1159
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0159 0.4539 0.4539
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.1409 0.1409
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1003 0.1159
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.109 0.109
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0159 0.4539 0.4539

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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