Detailed information for compound 626341

Basic information

Technical information
  • TDR Targets ID: 626341
  • Name: N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoyl amino)-1-benzofuran-2-carboxamide
  • MW: 366.367 | Formula: C20H18N2O5
  • H donors: 2 H acceptors: 2 LogP: 4.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)C)Nc1c(oc2c1cccc2)C(=O)Nc1ccc2c(c1)OCO2
  • InChi: 1S/C20H18N2O5/c1-11(2)19(23)22-17-13-5-3-4-6-14(13)27-18(17)20(24)21-12-7-8-15-16(9-12)26-10-25-15/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
  • InChiKey: UKDFPZRWHWMRFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzofuran-2-carboxamide
  • N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]-2-benzofurancarboxamide
  • N-(1,3-benzodioxol-5-yl)-3-(isobutyrylamino)benzofuran-2-carboxamide
  • ZINC04353999

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
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0045 0.0771 0.2404
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.116 1
Schistosoma mansoni hypothetical protein 0.0334 0.7911 0.7904
Mycobacterium tuberculosis Probable reductase 0.0299 0.7043 0.8938
Loa Loa (eye worm) Smad1 0.0016 0.0046 0.0084
Plasmodium falciparum thioredoxin reductase 0.0045 0.0771 0.2404
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.116 0.1131
Schistosoma mansoni hypothetical protein 0.0036 0.0535 0.0504
Trichomonas vaginalis mercuric reductase, putative 0.0045 0.0771 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0046 0.0014
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.116 0.1131
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0045 0.0771 0.2404
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0045 0.0771 0.2404
Entamoeba histolytica hypothetical protein 0.0036 0.0535 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0146 0.0144
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0146 0.0144
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0146 0.0265
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.116 0.1364
Loa Loa (eye worm) hypothetical protein 0.0016 0.0032 0.0059
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0131 0.2889 0.3591
Schistosoma mansoni lamin 0.0027 0.0306 0.0274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0146 0.0265
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0146 0.0265
Mycobacterium tuberculosis Probable oxidoreductase 0.0332 0.7869 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.0771 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0146 0.0114
Trypanosoma cruzi trypanothione reductase, putative 0.0045 0.0771 0.2404
Giardia lamblia NADH oxidase lateral transfer candidate 0.0045 0.0771 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0146 0.0144
Onchocerca volvulus 0.0027 0.0306 1
Echinococcus granulosus smad 0.0016 0.0046 0.0018
Brugia malayi hypothetical protein 0.0036 0.0535 0.097
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0045 0.0771 0.2404
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0146 0.0144
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0146 0.0144
Entamoeba histolytica hypothetical protein 0.0036 0.0535 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0046 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0146 0.0144
Echinococcus granulosus lamin 0.0027 0.0306 0.0347
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0146 0.0265
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0045 0.0771 0.2404
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0865 0.157
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.01 0.0086
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0535 0.0638
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0045 0.0771 0.2404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0146 0.0265
Schistosoma mansoni smad1 5 8 and 0.0016 0.0046 0.0014
Toxoplasma gondii thioredoxin reductase 0.0131 0.2889 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0045 0.0771 0.2404
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0771 0.2404
Leishmania major trypanothione reductase 0.0131 0.2889 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0294 0.0533
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0146 0.0144
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0146 0.0144
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0771 0.2404
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.116 0.3799
Brugia malayi MH2 domain containing protein 0.0016 0.0046 0.0084
Brugia malayi MH1 domain containing protein 0.0016 0.0046 0.0084
Schistosoma mansoni smad1 5 8 and 0.0016 0.0046 0.0014
Echinococcus granulosus geminin 0.0334 0.7911 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0045 0.0771 0.0937
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0332 0.7869 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.3156 0.5727
Loa Loa (eye worm) hypothetical protein 0.0049 0.0865 0.157
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0045 0.0771 0.2404
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0045 0.0771 0.2404
Brugia malayi MH2 domain containing protein 0.0237 0.551 1
Brugia malayi MH1 domain containing protein 0.0016 0.0046 0.0084
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0146 0.0114
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0146 0.0265
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.551 1
Brugia malayi nuclear receptor NHR-88 0.002 0.0146 0.0265
Entamoeba histolytica hypothetical protein 0.0036 0.0535 1
Brugia malayi MH2 domain containing protein 0.0016 0.0046 0.0084
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0146 0.0144
Brugia malayi steroid hormone receptor 0.002 0.0146 0.0265
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0265
Trichomonas vaginalis glutathione reductase, putative 0.0045 0.0771 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.116 0.1431
Echinococcus multilocularis smad 0.0016 0.0046 0.0018
Brugia malayi intermediate filament protein 0.0027 0.0306 0.0555
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.116 1
Echinococcus granulosus Smad4 0.0016 0.0046 0.0018
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0046 0.0014
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0865 0.157
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0146 0.0144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.3156 0.3133
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.3156 0.3964
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0146 0.0114
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0299 0.7043 0.8938
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0045 0.0771 0.2404
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0146 0.0265
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0046 0.0018
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0045 0.0771 0.6326
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0045 0.0771 0.2404
Brugia malayi Thioredoxin reductase 0.0131 0.2889 0.5244
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0146 0.0265
Brugia malayi ecdysteroid receptor 0.002 0.0146 0.0265
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0299 0.7043 0.8938
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.01 0.0182
Loa Loa (eye worm) hypothetical protein 0.0034 0.048 0.0871
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0771 0.2404
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0306 0.0555
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.3156 0.3133
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0146 0.0265
Loa Loa (eye worm) glutathione reductase 0.0131 0.2889 0.5244
Echinococcus multilocularis musashi 0.0027 0.0306 0.0347
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0146 0.0144
Plasmodium vivax thioredoxin reductase, putative 0.0131 0.2889 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0146 0.0144
Entamoeba histolytica hypothetical protein 0.0036 0.0535 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0771 0.2404
Schistosoma mansoni Smad4 0.0016 0.0046 0.0014
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0045 0.0771 0.6326
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0045 0.0771 0.0741
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0045 0.0771 0.0937
Plasmodium falciparum glutathione reductase 0.0045 0.0771 0.2404
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0046 0.0084
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0146 0.0265
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0146 0.0265
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0146 0.0265
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0146 0.0265
Echinococcus granulosus intermediate filament protein 0.0027 0.0306 0.0347
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0146 0.0114
Schistosoma mansoni ap endonuclease 0.0018 0.01 0.0068
Onchocerca volvulus 0.0027 0.0306 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0032 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0146 0.0265
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.3156 0.3964
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0146 0.0265
Echinococcus multilocularis thioredoxin glutathione reductase 0.0131 0.2902 0.3642
Plasmodium falciparum thioredoxin reductase 0.0131 0.2889 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0146 0.0265
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0146 0.0265
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0033 0.0472 0.0857
Schistosoma mansoni lamin 0.0027 0.0306 0.0274
Brugia malayi glutathione reductase 0.0131 0.2889 0.5244
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.3156 0.5727
Echinococcus multilocularis lamin dm0 0.0027 0.0306 0.0347
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0046 0.0018
Schistosoma mansoni hypothetical protein 0.0334 0.7911 0.7904
Echinococcus granulosus lamin dm0 0.0027 0.0306 0.0347
Echinococcus multilocularis lamin 0.0027 0.0306 0.0347
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0146 0.0144
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0265
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0306 0.0555
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0146 0.0265
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.048 0.0871
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.116 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0046 0.0018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0865 0.157
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0046 0.0084
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.116 0.1431
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0146 0.0144
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0146 0.0144
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0771 0.2404
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0332 0.7869 1
Echinococcus multilocularis Smad4 0.0016 0.0046 0.0018
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.0771 1
Echinococcus granulosus FTZ F1 alpha 0.002 0.0146 0.0144
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0265
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0299 0.7043 0.8938
Mycobacterium tuberculosis Probable dehydrogenase 0.0299 0.7043 0.8938
Trypanosoma brucei trypanothione reductase 0.0131 0.2889 1
Schistosoma mansoni ap endonuclease 0.0018 0.01 0.0068
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0045 0.0771 0.1398
Schistosoma mansoni hypothetical protein 0.0034 0.048 0.0449
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0146 0.0114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.3156 0.3964
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.01 0.0182
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.3156 0.3964
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0146 0.0114
Brugia malayi Smad1 0.0016 0.0046 0.0084
Plasmodium falciparum glutathione reductase 0.0131 0.2889 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0146 0.0265
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0146 0.0144
Schistosoma mansoni thyroid hormone receptor 0.002 0.0146 0.0114
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0265
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0146 0.0114
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0045 0.0771 0.0863
Schistosoma mansoni intermediate filament proteins 0.0027 0.0306 0.0274
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0535 0.0638
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0146 0.0144
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0265
Loa Loa (eye worm) hypothetical protein 0.0027 0.0306 0.0555
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0265
Plasmodium vivax glutathione reductase, putative 0.0131 0.2889 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0045 0.0771 0.2404
Treponema pallidum NADH oxidase 0.0045 0.0771 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0045 0.0771 0.2404
Toxoplasma gondii NADPH-glutathione reductase 0.0045 0.0771 0.2404
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0265
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0032 0.0059
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0045 0.0771 0.2404
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0032 0.0059
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0033 0.0472 0.0857
Schistosoma mansoni smad 0.0016 0.0046 0.0014
Schistosoma mansoni coup transcription factor 0.002 0.0146 0.0114
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0306 0.0555
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.01 0.0086
Echinococcus granulosus thioredoxin glutathione reductase 0.0131 0.2902 0.3642
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.116 0.3799
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0299 0.7043 0.8938
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.3156 0.3133
Trypanosoma cruzi trypanothione reductase, putative 0.0131 0.2889 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0332 0.7869 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0146 0.0265
Schistosoma mansoni thyroid hormone receptor 0.002 0.0146 0.0114
Echinococcus multilocularis geminin 0.0334 0.7911 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0045 0.0771 0.5
Schistosoma mansoni nuclear hormone receptor 0.002 0.0146 0.0114
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0146 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0146 0.0265
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0045 0.0771 0.2404
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0045 0.0771 0.6326
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0771 0.2404
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0535 0.0504
Brugia malayi nuclear hormone receptor 0.002 0.0146 0.0265
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0146 0.0265
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.551 1
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0146 0.0265
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0146 0.0114
Loa Loa (eye worm) thioredoxin reductase 0.0131 0.2889 0.5244
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0146 0.0265

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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