Detailed information for compound 793329

Basic information

Technical information
  • TDR Targets ID: 793329
  • Name: 3,4-dimethoxy-N-[1-(1-propylbenzimidazol-2-yl )ethyl]benzamide
  • MW: 367.442 | Formula: C21H25N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.42 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(nc2c1cccc2)C(NC(=O)c1ccc(c(c1)OC)OC)C
  • InChi: 1S/C21H25N3O3/c1-5-12-24-17-9-7-6-8-16(17)23-20(24)14(2)22-21(25)15-10-11-18(26-3)19(13-15)27-4/h6-11,13-14H,5,12H2,1-4H3,(H,22,25)
  • InChiKey: UQRXNYFDCFMVNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3,4-dimethoxy-N-[1-(1-propyl-2-benzimidazolyl)ethyl]benzamide
  • EU-0022683
  • T5458032

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
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0108 0.0085
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0089 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0081 0.055
Echinococcus granulosus geminin 0.018 0.1239 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0006 0.004
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0083
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0076 0.6995
Brugia malayi steroid hormone receptor 0.0022 0.0081 0.0075
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0076 0.007
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0081 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0081 0.0075
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.0076 0.0571
Loa Loa (eye worm) hypothetical protein 0.0022 0.0081 0.0081
Brugia malayi Ets-domain containing protein 0.007 0.0434 0.0428
Echinococcus granulosus GA binding protein alpha chain 0.007 0.0434 0.3475
Brugia malayi Fli-1 protein 0.0213 0.1477 0.1472
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.0076 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.071 0.071
Loa Loa (eye worm) hypothetical protein 0.0017 0.0047 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0081 0.0081
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.138 1 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0083
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0089 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0081 0.055
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0108 0.0085
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0081 0.0122
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0006 0.0006
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0089 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.0076 0.0571
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0108 1
Schistosoma mansoni hypothetical protein 0.0034 0.0171 0.1157
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0542 0.3881 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0108 0.0108
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0081 0.0617
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0076 0.4696
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0081 0.0122
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0089 1
Brugia malayi Ets-domain containing protein 0.007 0.0434 0.0428
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0108 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0081 0.0081
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.0434 0.0434
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0081 0.055
Loa Loa (eye worm) hypothetical protein 0.0022 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0022 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.138 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0089 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0081 0.055
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0171 0.1344
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0171 0.0165
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0076 0.0076
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.0076 0.0571
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0081 0.0081
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0076 0.5
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.0076 0.0076
Brugia malayi hypothetical protein 0.0016 0.0042 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0081 0.0075
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0081 0.055
Schistosoma mansoni hypothetical protein 0.018 0.1239 0.8388
Treponema pallidum ATP-dependent DNA helicase 0.0011 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0022 0.0081 0.0075
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0081 0.0617
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0089 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0081 0.0122
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0081 0.0081
Schistosoma mansoni DNA helicase recq1 0.0021 0.0076 0.0511
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.0036
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0542 0.3881 1
Schistosoma mansoni ets-related 0.0213 0.1477 1
Schistosoma mansoni coup transcription factor 0.0022 0.0081 0.055
Leishmania major hypothetical protein, conserved 0.0026 0.0108 0.0085
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0081 0.0081
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0863 0.6224 1
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0076 0.007
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0076 0.6995
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0034 0.0171 0.1157
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0171 0.0266
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0171 0.1344
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0171 0.0266
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.0076 0.4696
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0542 0.3881 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0081 0.0617
Schistosoma mansoni DNA helicase recq5 0.0021 0.0076 0.0511
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0047 0.4333
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0081 0.0617
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0359 0.0359
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.0036
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0083
Echinococcus multilocularis geminin 0.018 0.1239 0.1983
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.046 0.0455
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0081 0.0122
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0081 0.055
Schistosoma mansoni hypothetical protein 0.018 0.1239 0.8388
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0081 0.0617
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0076 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0081 0.0617
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0081 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0081 0.0075
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0081 0.055
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0081 0.055
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0081 0.0122
Brugia malayi hypothetical protein 0.0026 0.0108 0.0102
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0081 0.0081
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0081 0.0617
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0081 0.0075
Brugia malayi ecdysteroid receptor 0.0022 0.0081 0.0075
Loa Loa (eye worm) hypothetical protein 0.0022 0.0081 0.0081
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.0076 0.0113
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0171 0.0165
Loa Loa (eye worm) hypothetical protein 0.0022 0.0081 0.0081
Mycobacterium ulcerans hypothetical protein 0.0023 0.0089 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0081 0.0075
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0081 0.055
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0081 0.055
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0108 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0108 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.071 0.0704
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0089 1
Echinococcus multilocularis GPCR, family 2 0.0034 0.0171 0.0266
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.0036
Onchocerca volvulus 0.0146 0.099 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0171 0.0171
Loa Loa (eye worm) hypothetical protein 0.0022 0.0081 0.0081
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0081 0.0075
Brugia malayi hypothetical protein 0.0146 0.099 0.0985
Loa Loa (eye worm) hypothetical protein 0.0017 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0022 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0081 0.0075
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0081 0.055
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0081 0.0122
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.0434 0.0689
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0081 0.0122
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0081 0.0122
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0074 0.046 0.046
Brugia malayi nuclear hormone receptor 0.0022 0.0081 0.0075
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0017 0.0047 0.0047
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0089 1
Loa Loa (eye worm) RecQ helicase 0.0021 0.0076 0.0076
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0089 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0076 0.007
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0089 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0047 0.5
Schistosoma mansoni hypothetical protein 0.0011 0.0005 0.0035
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.0076 0.0113
Schistosoma mansoni gabp alpha 0.007 0.0434 0.2937
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0081 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0081 0.0075
Onchocerca volvulus 0.0023 0.0089 0.0087
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.071 0.0704
Echinococcus granulosus GPCR family 2 0.0034 0.0171 0.1344
Loa Loa (eye worm) hypothetical protein 0.0017 0.0047 0.0047
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0081 0.0075
Schistosoma mansoni hypothetical protein 0.0034 0.0171 0.1157
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0076 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0081 0.0075
Schistosoma mansoni hypothetical protein 0.0074 0.046 0.3117
Loa Loa (eye worm) hypothetical protein 0.0022 0.0081 0.0081
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0006 0.004
Loa Loa (eye worm) hypothetical protein 0.0108 0.071 0.071
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0047 0.139
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0081 0.0075
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0171 0.0171
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0089
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0089 1
Schistosoma mansoni hypothetical protein 0.0034 0.0171 0.1157
Loa Loa (eye worm) hypothetical protein 0.0017 0.0047 0.0047
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0081 0.055
Entamoeba histolytica recQ family helicase, putative 0.0021 0.0076 0.8468
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0081 0.0075
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0081 0.0075
Leishmania major malonyl-coa decarboxylase-like protein 0.0542 0.3881 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0081 0.0617
Loa Loa (eye worm) hypothetical protein 0.0146 0.099 0.099
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0108 0.0085
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0081 0.0122
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0081 0.0617
Loa Loa (eye worm) fli-1 protein 0.0213 0.1477 0.1477
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0006 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0081 0.0081

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.