Detailed information for compound 863078

Basic information

Technical information
  • TDR Targets ID: 863078
  • Name: 2-(methoxymethyl)-1-[2-(4-methylphenoxy)ethyl ]benzimidazole
  • MW: 296.364 | Formula: C18H20N2O2
  • H donors: 0 H acceptors: 1 LogP: 3.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1nc2c(n1CCOc1ccc(cc1)C)cccc2
  • InChi: 1S/C18H20N2O2/c1-14-7-9-15(10-8-14)22-12-11-20-17-6-4-3-5-16(17)19-18(20)13-21-2/h3-10H,11-13H2,1-2H3
  • InChiKey: VCEPEHKFZPUVBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • AE-848/42487856
  • T5443810
  • 2-Methoxymethyl-1-(2-p-tolyloxy-ethyl)-1H-benzoimidazole
  • BAS 07806021
  • ZINC00246975

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
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0034 0.0152 0.0152
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0055 0.0311 0.8381
Onchocerca volvulus 0.0019 0.0042 0.1591
Plasmodium falciparum valine--tRNA ligase, putative 0.0022 0.0061 0.0259
Mycobacterium tuberculosis Possible DNA glycosylase 0.0093 0.0602 0.0602
Mycobacterium leprae POSSIBLE CONSERVED POLYKETIDE SYNTHASE ASSOCIATED PROTEIN PAPA5 0.002 0.0047 0.0047
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0061 0.0363 1
Schistosoma mansoni leucyl-tRNA synthetase 0.0022 0.0061 0.0585
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0028 0.0107 0.0107
Mycobacterium tuberculosis Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase) 0.0048 0.0262 0.0262
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0602 0.4498 0.4498
Chlamydia trachomatis isoleucine--tRNA ligase 0.0061 0.0363 1
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0048 0.0264 0.6896
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.1322 1 1
Leishmania major valyl-tRNA synthetase, putative 0.0022 0.0061 0.0585
Wolbachia endosymbiont of Brugia malayi threonyl-tRNA synthetase 0.0048 0.0262 0.3924
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0074 0.099
Entamoeba histolytica valyl tRNA synthetase, putative 0.0022 0.0061 0.1672
Schistosoma mansoni isoleucine--tRNA ligase 0.0061 0.0363 1
Echinococcus multilocularis valyl tRNA synthetase 0.0022 0.0061 0.0585
Mycobacterium tuberculosis Probable conserved polyketide synthase associated protein PapA3 0.002 0.0047 0.0047
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.0093 0.0602 0.0602
Toxoplasma gondii threonyl-tRNA synthetase family protein 0.0048 0.0262 0.0494
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0061 0.0363 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0034 0.0152 0.0152
Mycobacterium ulcerans thioesterase 0.0328 0.2401 0.2401
Brugia malayi AMP-binding enzyme family protein 0.0034 0.0152 0.4186
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0061 0.0363 0.0721
Schistosoma mansoni isoleucine--tRNA ligase 0.0061 0.0363 1
Plasmodium vivax threonine--tRNA ligase, putative 0.0048 0.0262 0.6843
Toxoplasma gondii tRNA synthetase, putative 0.0022 0.0061 0.0042
Echinococcus granulosus Threonyl tRNA synthetase C 0.0055 0.0311 0.8381
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0362 0.2658 0.2658
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0022 0.0061 0.0585
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0061 0.0363 0.0363
Chlamydia trachomatis valine--tRNA ligase 0.0022 0.0061 0.0585
Entamoeba histolytica threonyl-tRNA synthetase, putative 0.0048 0.0262 0.7207
Giardia lamblia Methyltransferase like 2 0.0023 0.0074 0.099
Loa Loa (eye worm) hypothetical protein 0.0029 0.0113 0.2213
Trypanosoma brucei leucyl-tRNA synthetase, putative 0.0022 0.0061 0.0585
Trypanosoma brucei threonyl-tRNA synthetase, putative 0.0055 0.0311 0.8381
Onchocerca volvulus 0.0034 0.0152 0.5771
Mycobacterium tuberculosis Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase) 0.0022 0.0061 0.0061
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.004 0.0197 0.0197
Leishmania major threonyl-tRNA synthetase, putative 0.0055 0.0311 0.8381
Brugia malayi threonyl-tRNA synthetase, cytoplasmic 0.0055 0.0311 0.8567
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0602 0.4498 0.4498
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0114 0.0769 1
Leishmania major leucyl-tRNA synthetase, putative 0.0022 0.0061 0.0585
Loa Loa (eye worm) threonyl-tRNA synthetase 0.0055 0.0311 0.8381
Treponema pallidum valyl-tRNA synthetase 0.0022 0.0061 0.0585
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0019 0.0042 0.1154
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0028 0.0107 0.0107
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0022 0.0061 0.0585
Brugia malayi isoleucyl-tRNA synthetase 0.0061 0.0363 1
Schistosoma mansoni methyltransferase-related 0.0023 0.0074 0.099
Echinococcus granulosus valyl tRNA synthetase 0.0022 0.0061 0.0585
Onchocerca volvulus 0.0048 0.0264 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0264 0.6896
Toxoplasma gondii leucyl-tRNA synthetase (LeuRS2) 0.0022 0.0061 0.0042
Plasmodium vivax valine--tRNA ligase, putative 0.0022 0.0061 0.0585
Mycobacterium tuberculosis Possible conserved polyketide synthase associated protein PapA5 0.002 0.0047 0.0047
Plasmodium falciparum leucine--tRNA ligase, putative 0.0022 0.0061 0.0259
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0113 0.3111
Toxoplasma gondii valyl-tRNA synthetase 0.0022 0.0061 0.0042
Schistosoma mansoni threonyl-tRNA synthetase 0.0043 0.0226 0.5743
Onchocerca volvulus 0.0022 0.0061 0.2305
Brugia malayi valyl-tRNA synthetase family protein 0.0022 0.0061 0.1672
Mycobacterium leprae PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI 0.0022 0.0061 0.0061
Echinococcus multilocularis leucyl tRNA synthetase 0.0022 0.0061 0.0585
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0061 0.0363 1
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0061 0.0363 1
Treponema pallidum isoleucyl-tRNA synthetase 0.0061 0.0363 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0034 0.0152 0.0152
Echinococcus multilocularis valyl tRNA synthetase 0.0022 0.0061 0.0585
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.0093 0.0602 1
Giardia lamblia Isoleucyl-tRNA synthetase 0.0061 0.0363 1
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0093 0.0602 0.0602
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0019 0.0042 0.0042
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0602 0.4498 0.4498
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0034 0.0152 0.0152
Mycobacterium tuberculosis Conserved protein 0.0023 0.0074 0.0074
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0048 0.0264 0.6896
Treponema pallidum threonyl-tRNA synthetase 0.0048 0.0262 0.6843
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0055 0.0311 0.8381
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0093 0.0602 0.0602
Mycobacterium ulcerans threonyl-tRNA synthetase 0.0048 0.0262 0.0262
Schistosoma mansoni valine-tRNA ligase 0.0022 0.0061 0.0585
Mycobacterium ulcerans valyl-tRNA synthetase 0.0022 0.0061 0.0061
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0034 0.0152 0.3428
Echinococcus granulosus leucyl tRNA synthetase 0.0022 0.0061 0.0585
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.1056 0.7969 0.7969
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0034 0.0152 0.0152
Leishmania major isoleucyl-tRNA synthetase, putative 0.0061 0.0363 1
Brugia malayi Valyl-tRNA synthetase 0.0022 0.0061 0.1672
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.0093 0.0602 0.0602
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0055 0.0311 0.8381
Toxoplasma gondii pantoate-beta-alanine ligase 0.0602 0.4498 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0363 1
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0061 0.0363 0.0363
Wolbachia endosymbiont of Brugia malayi valyl-tRNA synthetase 0.0022 0.0061 0.0336
Leishmania major hypothetical protein, conserved 0.0023 0.0074 0.099
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0061 0.0585
Mycobacterium leprae Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase) 0.0048 0.0262 0.0262
Mycobacterium tuberculosis Hypothetical protein 0.0023 0.0074 0.0074
Brugia malayi Methyltransferase-like protein 4 0.0023 0.0074 0.203
Plasmodium falciparum threonine--tRNA ligase 0.0048 0.0262 0.3027
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0061 0.0363 1
Entamoeba histolytica valyl-tRNA synthetase, putative 0.0022 0.0061 0.1672
Echinococcus granulosus valyl tRNA synthetase 0.0022 0.0061 0.0585
Brugia malayi leucyl-tRNA synthetase 0.0022 0.0061 0.1672
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0022 0.0061 0.0336
Giardia lamblia Valine-tRNA ligase 0.0022 0.0061 0.0585
Mycobacterium ulcerans polyketide synthase associated protein PapA3 0.002 0.0047 0.0047
Mycobacterium leprae PROBABLE CONSERVED POLYKETIDE SYNTHASE ASSOCIATED PROTEIN PAPA3 0.002 0.0047 0.0047
Mycobacterium tuberculosis Conserved polyketide synthase associated protein PapA1 0.002 0.0047 0.0047
Echinococcus granulosus leucyl tRNA synthetase 0.0041 0.0208 0.517
Onchocerca volvulus 0.0034 0.0152 0.5771
Trichomonas vaginalis threonyl-tRNA synthetase, putative 0.0048 0.0262 0.6843
Trypanosoma brucei valyl-tRNA synthetase, putative 0.0022 0.0061 0.0585
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0034 0.0152 0.0152
Plasmodium falciparum valine--tRNA ligase, putative 0.0022 0.0061 0.0259
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0061 0.0363 1
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0022 0.0061 0.0585
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0061 0.0363 0.4423
Echinococcus multilocularis leucyl tRNA synthetase 0.0022 0.0061 0.0585
Giardia lamblia Threonyl-tRNA synthetase 0.0048 0.0262 0.6843
Entamoeba histolytica leucyl-tRNA synthetase, putative 0.0022 0.0061 0.1672
Mycobacterium tuberculosis Unknown protein 0.002 0.0047 0.0047
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0019 0.0042 0.1154
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0022 0.0061 0.0585
Loa Loa (eye worm) hypothetical protein 0.0022 0.0061 0.0585
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.1322 1 1
Toxoplasma gondii leucyl-tRNA synthetase 0.0022 0.0061 0.0042
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0061 0.0363 1
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0061 0.0363 1
Schistosoma mansoni valine-tRNA ligase 0.0022 0.0061 0.0585
Toxoplasma gondii isoleucyl-tRNA synthetase, putative 0.0022 0.0061 0.0042
Chlamydia trachomatis threonine--tRNA ligase 0.0055 0.0311 0.8381
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0061 0.0363 0.5735
Mycobacterium tuberculosis Possible conserved polyketide synthase associated protein PapA2 0.002 0.0047 0.0047
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0061 0.0363 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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