Detailed information for compound 729452

Basic information

Technical information
  • TDR Targets ID: 729452
  • Name: 7-methoxy-N-prop-2-enyl-1-benzofuran-2-carbox amide
  • MW: 231.247 | Formula: C13H13NO3
  • H donors: 1 H acceptors: 1 LogP: 2.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNC(=O)c1cc2c(o1)c(OC)ccc2
  • InChi: 1S/C13H13NO3/c1-3-7-14-13(15)11-8-9-5-4-6-10(16-2)12(9)17-11/h3-6,8H,1,7H2,2H3,(H,14,15)
  • InChiKey: CBKUBJDQEIEWQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-allyl-7-methoxy-benzofuran-2-carboxamide
  • N-allyl-7-methoxy-2-benzofurancarboxamide
  • ZINC06747261

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
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0718
Brugia malayi hypothetical protein 0.0033 0.0086 0.0052
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1804 1 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0704 0.3843 0.395
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0034 0.0034
Entamoeba histolytica hypothetical protein 0.0073 0.031 0.0724
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0189 0.0094
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0189 0.0094
Onchocerca volvulus 0.0035 0.0096 0.0473
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0096 0.0067
Mycobacterium tuberculosis Conserved protein 0.0035 0.0096 0.0096
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0096 0.0096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0173 0.014
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.0597 0.0589
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0096 0.0718
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0718
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0718
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.0597 0.0589
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0173 0.1302
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0704 0.3843 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0034 0.0257
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1804 1 1
Schistosoma mansoni hypothetical protein 0.0125 0.0597 0.057
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1804 1 1
Loa Loa (eye worm) hypothetical protein 0.0256 0.1331 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0718
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0086 0.0052
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 0.0654 0.0647
Entamoeba histolytica hypothetical protein 0.0073 0.031 0.0724
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0034 0.0034
Mycobacterium tuberculosis Conserved protein 0.0035 0.0096 0.0096
Brugia malayi beta-lactamase family protein 0.0035 0.0096 0.0062
Loa Loa (eye worm) hypothetical protein 0.0024 0.0034 0.0257
Schistosoma mansoni cellular tumor antigen P53 0.0256 0.1331 0.1306
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0034 0.0034
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0034 0.0034
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1804 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0096 0.0096
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0096 0.0096
Brugia malayi hypothetical protein 0.0073 0.031 0.0277
Schistosoma mansoni microtubule-associated protein tau 0.0739 0.4039 0.4022
Loa Loa (eye worm) MH2 domain-containing protein 0.0245 0.1272 0.9557
Brugia malayi hypothetical protein 0.0052 0.0189 0.0155
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0024 0.0034 0.0257
Schistosoma mansoni hypothetical protein 0.0034 0.0086 0.0058
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0704 0.3843 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.1155 0.1155
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0096 0.0069
Mycobacterium ulcerans lipase LipD 0.0035 0.0096 0.0096
Mycobacterium leprae Probable lipase LipE 0.0035 0.0096 0.0062
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0704 0.3843 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0034 0.0034
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0189 0.0189
Onchocerca volvulus 0.0035 0.0096 0.0473
Loa Loa (eye worm) beta-lactamase 0.0035 0.0096 0.0718
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.031 0.0291
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0049 0.0173 0.1302
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0718
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0096 0.0062
Echinococcus multilocularis tumor protein p63 0.1748 0.9685 1
Echinococcus granulosus microtubule associated protein 2 0.0739 0.4039 0.4153
Brugia malayi beta-lactamase family protein 0.0035 0.0096 0.0062
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0096 0.0096
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0704 0.3843 0.3784
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0704 0.3843 0.395
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0189 0.0189
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0704 0.3843 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0718
Brugia malayi Zinc finger, C2H2 type family protein 0.0704 0.3843 0.3822
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1804 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0096 0.0096
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0704 0.3843 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1804 1 0.5
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1804 1 1
Leishmania major dihydroorotate dehydrogenase 0.1804 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0189 0.0094
Brugia malayi beta-lactamase 0.0035 0.0096 0.0062
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0096 0.0096
Entamoeba histolytica hypothetical protein 0.0073 0.031 0.0724
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1804 1 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0096 0.0096
Entamoeba histolytica hypothetical protein 0.0073 0.031 0.0724
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.031 0.0282
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0704 0.3843 0.395
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0096 0.0069
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0034 0.0034
Schistosoma mansoni thyroid hormone receptor 0.0135 0.0654 0.0626
Leishmania major hypothetical protein, conserved 0.0035 0.0096 0.0062
Plasmodium falciparum dihydroorotate dehydrogenase 0.1804 1 1
Echinococcus granulosus tumor protein p63 0.1748 0.9685 1
Brugia malayi MH2 domain containing protein 0.0245 0.1272 0.1242
Loa Loa (eye worm) hypothetical protein 0.0052 0.0189 0.1419
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0096 0.0067
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0096 0.0062
Mycobacterium ulcerans hypothetical protein 0.0035 0.0096 0.0096
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0189 0.0094
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0173 0.014
Onchocerca volvulus 0.0035 0.0096 0.0473
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0096 0.0096
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1804 1 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1804 1 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1804 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0245 0.1272 0.9557
Echinococcus multilocularis microtubule associated protein 2 0.0739 0.4039 0.4153
Schistosoma mansoni dihydroorotate dehydrogenase 0.1804 1 1
Onchocerca volvulus 0.0256 0.1331 1
Schistosoma mansoni thyroid hormone receptor 0.0135 0.0654 0.0626
Loa Loa (eye worm) hypothetical protein 0.0034 0.0086 0.065
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0704 0.3843 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0096 0.0096
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0704 0.3843 1
Schistosoma mansoni hypothetical protein 0.0073 0.031 0.0282
Leishmania major hypothetical protein, conserved 0.0052 0.0189 0.0155
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0096 0.0096
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0189 0.0189
Mycobacterium tuberculosis Conserved protein 0.0035 0.0096 0.0096
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0704 0.3843 0.395
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.031 0.0291
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0034 0.0034
Mycobacterium ulcerans hypothetical protein 0.0024 0.0034 0.0034

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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