Detailed information for compound 630194

Basic information

Technical information
  • TDR Targets ID: 630194
  • Name: N-(2-ethoxyphenyl)-1,3-benzodioxole-5-carboxa mide
  • MW: 285.295 | Formula: C16H15NO4
  • H donors: 1 H acceptors: 1 LogP: 2.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)c1ccc2c(c1)OCO2
  • InChi: 1S/C16H15NO4/c1-2-19-13-6-4-3-5-12(13)17-16(18)11-7-8-14-15(9-11)21-10-20-14/h3-9H,2,10H2,1H3,(H,17,18)
  • InChiKey: NIUZGAWVQLDGHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC00030183
  • BAS 01129771
  • Benzo[1,3]dioxole-5-carboxylic acid (2-ethoxy-phenyl)-amide
  • Oprea1_780628
  • Oprea1_425741
  • ST043226

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
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.0014 0.0109 0.1953
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0537 0.0534
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0537 0.3492
Trichomonas vaginalis DNA helicase recq, putative 0.005 0.1357 0.1262
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.031 0.0177
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0014 0.0135 0.0216
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.037 0.0238
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.037 0.0367
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0537 0.0407
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0537 0.3492
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0351 0.2333
Loa Loa (eye worm) hypothetical protein 0.0026 0.0537 0.0537
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.1091 0.7872
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0351 0.0688
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0135 0.1013
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.031 0.0556
Leishmania major trypanothione reductase 0.0042 0.1072 0.7854
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0026 0.0537 0.0537
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0014 0.0135 0.0255
Toxoplasma gondii NADPH-glutathione reductase 0.0014 0.0135 0.1261
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0537 0.9649
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0095 0.2909 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0106 0.3274 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0143 0.0278
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0135 0.0132
Schistosoma mansoni glutaminase 0.0301 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0109 0.0814
Plasmodium falciparum glutathione reductase 0.0042 0.1072 0.9267
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.0348 0.1916
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0095 0.2909 0.8837
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.037 0.037
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0034 0.0801 0.718
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.1072 0.2985
Mycobacterium ulcerans hypothetical protein 0.0026 0.0537 0.0407
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0348 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0143 0.0278
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0537 0.9649
Loa Loa (eye worm) hypothetical protein 0.0019 0.031 0.031
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0014 0.0135 0.0216
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0014 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0019 0.031 0.031
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.037 0.6645
Loa Loa (eye worm) hypothetical protein 0.0049 0.1335 0.1335
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0014 0.0135 0.0216
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0135 0.0213
Loa Loa (eye worm) glutaminase 2 0.0301 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0351 0.1977
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0351 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0109 0.0109
Trypanosoma brucei unspecified product 0.0021 0.037 0.2129
Trichomonas vaginalis glutaminase, putative 0.0301 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0027 0.0557 0.3651
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0351 0.0348
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.031 0.1935
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0537 0.0407
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.037 0.0264
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.037 0.037
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0135 0.0135
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0095 0.2909 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0106 0.3274 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.037 0.0264
Brugia malayi Thioredoxin reductase 0.0042 0.1072 0.1069
Brugia malayi Bloom's syndrome protein homolog 0.005 0.1357 0.1354
Schistosoma mansoni ap endonuclease 0.0021 0.0351 0.0351
Entamoeba histolytica recQ family helicase, putative 0.0027 0.0557 1
Schistosoma mansoni ap endonuclease 0.0021 0.0351 0.0351
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0351 0.1977
Giardia lamblia NADH oxidase lateral transfer candidate 0.0014 0.0135 0.1016
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.0014 0.0109 0.0105
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.0014 0.0109 0.1014
Loa Loa (eye worm) hypothetical protein 0.0013 0.0103 0.0103
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0135 0.1013
Trichomonas vaginalis DNA helicase recq, putative 0.0027 0.0557 0.0453
Trypanosoma brucei unspecified product 0.0015 0.0143 0.0278
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.037 0.2092
Echinococcus multilocularis dna polymerase eta 0.0049 0.1335 0.9826
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.1335 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0014 0.0135 0.0255
Mycobacterium tuberculosis Probable reductase 0.0095 0.2909 0.8837
Schistosoma mansoni DNA helicase recq1 0.0021 0.0348 0.0348
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0014 0.0109 0.0109
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0351 0.263
Plasmodium vivax glutathione reductase, putative 0.0042 0.1072 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0014 0.0135 0.0216
Echinococcus granulosus bloom syndrome protein 0.005 0.1357 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0135 0.1013
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0351 0.0245
Leishmania major DNA polymerase kappa, putative 0.0021 0.037 0.2129
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0537 0.0407
Mycobacterium ulcerans glutaminase 0.0301 1 1
Treponema pallidum NADH oxidase 0.0014 0.0135 0.385
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.0348 0.1916
Giardia lamblia DINP protein human, muc B family 0.0021 0.037 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.031 0.2088
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0351 0.631
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0014 0.0135 0.1013
Trichomonas vaginalis glutathione reductase, putative 0.0014 0.0135 0.0027
Echinococcus granulosus dna polymerase kappa 0.0021 0.037 0.2092
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.037 0.277
Loa Loa (eye worm) RecQ helicase 0.005 0.1357 0.1357
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0014 0.0135 0.0276
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0351 0.2517
Trypanosoma cruzi trypanothione reductase, putative 0.0014 0.0135 0.1013
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0014 0.0135 0.0216
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0106 0.3274 1
Toxoplasma gondii exonuclease III APE 0.0021 0.0351 0.3276
Loa Loa (eye worm) hypothetical protein 0.0019 0.031 0.031
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0135 0.1013
Loa Loa (eye worm) glutaminase 0.0301 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0537 0.3492
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0537 0.9649
Loa Loa (eye worm) hypothetical protein 0.0019 0.031 0.031
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0537 0.128
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0135 0.1013
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0044 0.1148 1
Echinococcus multilocularis bloom syndrome protein 0.005 0.1357 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.037 0.2129
Brugia malayi glutathione reductase 0.0042 0.1072 0.1069
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0537 0.128
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0014 0.0135 0.0216
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.037 0.277
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0537 0.0407
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0027 0.0557 0.4168
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.0348 0.1916
Loa Loa (eye worm) hypothetical protein 0.0021 0.0348 0.0348
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0273 0.0439
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.1072 0.8029
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0135 0.0213
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0095 0.2909 0.8667
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.037 0.277
Plasmodium falciparum thioredoxin reductase 0.0014 0.0135 0.0255
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0537 0.0534
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0273 0.0439
Trypanosoma brucei trypanothione reductase 0.0042 0.1072 0.7854
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0831 0.775
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.0348 0.0348
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.037 0.0748
Leishmania major DNA polymerase eta, putative 0.0049 0.1335 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0351 0.9286
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0537 0.0534
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.031 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0537 0.0407
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.0348 0.23
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.1072 0.1072
Schistosoma mansoni blooms syndrome DNA helicase 0.0039 0.0995 0.0995
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.037 0.037
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0351 0.263
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0033 0.0787 0.7338
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0135 0.1013
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0348 0.0345
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0537 0.0407
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.037 0.2092
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0014 0.0135 0.0216
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.1335 0.1333
Plasmodium falciparum glutathione reductase 0.0014 0.0135 0.0255
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0351 0.0219
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0351 0.1943
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0831 0.6222
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.037 0.277
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0095 0.2909 0.8837
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.037 0.0238
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0014 0.0135 0.0276
Loa Loa (eye worm) hypothetical protein 0.0152 0.4864 0.4864
Loa Loa (eye worm) hypothetical protein 0.0019 0.031 0.031
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0351 0.0245
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0351 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0348 0.3244
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Plasmodium falciparum thioredoxin reductase 0.0042 0.1072 0.9267
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0014 0.0135 0.1261
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.037 0.2129
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0014 0.0135 0.0216
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.1091 0.7872
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0273 0.0439
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.037 0.2129
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.1072 1
Trypanosoma brucei unspecified product 0.0015 0.0143 0.0278
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0348 0.3244
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0351 0.1943
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0027 0.0557 0.3651
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0014 0.0135 0.1013
Loa Loa (eye worm) hypothetical protein 0.0026 0.0537 0.0537
Trichomonas vaginalis DNA helicase recq1, putative 0.005 0.1357 0.1262
Schistosoma mansoni DNA helicase recq5 0.0021 0.0348 0.0348
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.037 0.2129
Mycobacterium tuberculosis Probable dehydrogenase 0.0095 0.2909 0.8837
Loa Loa (eye worm) glutathione reductase 0.0042 0.1072 0.1072
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0273 0.0439
Echinococcus multilocularis dna polymerase kappa 0.0021 0.037 0.2092
Trichomonas vaginalis mercuric reductase, putative 0.0014 0.0135 0.0027
Leishmania major DNA polymerase eta, putative 0.0035 0.0831 0.5888
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.037 0.2129
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0106 0.3274 1
Toxoplasma gondii thioredoxin reductase 0.0042 0.1072 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.0348 0.1916
Schistosoma mansoni DNA polymerase eta 0.0049 0.1335 0.1335
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0143 0.0278
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.037 0.0748
Onchocerca volvulus 0.0026 0.0537 0.5
Schistosoma mansoni hypothetical protein 0.0013 0.0103 0.0103
Echinococcus granulosus dna polymerase eta 0.0049 0.1335 0.9826
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0537 0.0407
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.0348 0.9157
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.1335 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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