Detailed information for compound 713614

Basic information

Technical information
  • TDR Targets ID: 713614
  • Name: N-(2,4-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl- 1,2,4-triazol-3-yl)sulfanyl]acetamide
  • MW: 398.479 | Formula: C20H22N4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.08 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1CC)c1ccccc1
  • InChi: 1S/C20H22N4O3S/c1-4-24-19(14-8-6-5-7-9-14)22-23-20(24)28-13-18(25)21-16-11-10-15(26-2)12-17(16)27-3/h5-12H,4,13H2,1-3H3,(H,21,25)
  • InChiKey: PBYSMCNUUHINQI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide
  • N-(2,4-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • ST5412505
  • ZINC00870537

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 glutathione reductase 0.0061 0.1017 0.2803
Plasmodium vivax glutathione reductase, putative 0.0177 0.3077 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0061 0.1017 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.1017 0.1057
Echinococcus multilocularis citrate lyase subunit beta protein 0.0051 0.0832 0.1044
Treponema pallidum NADH oxidase 0.0061 0.1017 1
Brugia malayi Thioredoxin reductase 0.0177 0.3077 0.8962
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0061 0.1017 0.1057
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0061 0.1017 0.1057
Plasmodium falciparum glutathione reductase 0.0177 0.3077 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0449 0.792 1
Echinococcus multilocularis dnaJ subfamily B 0.0424 0.7488 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0196 0.3424 0.4532
Trichomonas vaginalis apoptosis inducing factor, putative 0.0016 0.0214 0.0502
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0273 0.0292
Schistosoma mansoni sulfide quinone reductase 0.0016 0.0214 0.0214
Trypanosoma brucei hypothetical protein, conserved 0.0442 0.7806 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0061 0.1017 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0177 0.3077 0.3772
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0016 0.0214 0.0377
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0016 0.0214 0.0213
Mycobacterium ulcerans hypothetical protein 0.0051 0.0832 0.7694
Brugia malayi glutamate synthase 0.0016 0.0214 0.0383
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0273 0.0206
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0051 0.0832 0.233
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0061 0.1017 0.1057
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0273 0.056
Schistosoma mansoni glutamate synthase 0.0016 0.0214 0.0214
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0016 0.0214 0.0502
Echinococcus multilocularis cpg binding protein 0.0031 0.0485 0.0578
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0016 0.0214 0.0502
Trypanosoma cruzi trypanothione reductase, putative 0.0061 0.1017 0.1057
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0061 0.1017 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0061 0.1017 0.1057
Toxoplasma gondii thioredoxin reductase 0.0177 0.3077 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0273 0.0677
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0273 0.0078
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0196 0.3424 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0061 0.1017 0.1042
Mycobacterium ulcerans hypothetical protein 0.0051 0.0832 0.7694
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.1017 0.1057
Schistosoma mansoni glutamate synthase 0.0016 0.0214 0.0214
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0016 0.0214 0.0502
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0061 0.1017 1
Schistosoma mansoni kinase 0.01 0.1703 0.1703
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1656 0.477
Leishmania major hypothetical protein, conserved 0.0442 0.7806 1
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.3424 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0061 0.1017 0.1293
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0449 0.792 1
Trichomonas vaginalis glutamate synthase, putative 0.0016 0.0214 0.0502
Schistosoma mansoni disulfide oxidoreductase 0.0016 0.0214 0.0214
Trypanosoma brucei trypanothione reductase 0.0177 0.3077 0.3772
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0061 0.1017 0.2788
Schistosoma mansoni glutamate synthase 0.0016 0.0214 0.0214
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0016 0.0214 0.0383
Trichomonas vaginalis mercuric reductase, putative 0.0061 0.1017 0.2878
Leishmania major trypanothione reductase 0.0177 0.3077 0.3772
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0273 0.0078
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0016 0.0214 0.0213
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0051 0.0832 0.0814
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0404 0.7118 0.8958
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0016 0.0214 0.0502
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0404 0.7118 0.8958
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0061 0.1017 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0061 0.1017 0.2803
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0016 0.0214 0.0502
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.3424 1
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.3424 1
Loa Loa (eye worm) glutathione reductase 0.0177 0.3077 0.8962
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0016 0.0214 0.0213
Plasmodium falciparum thioredoxin reductase 0.0177 0.3077 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0455 0.11
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0051 0.0832 0.7694
Schistosoma mansoni cpg binding protein 0.003 0.0455 0.0455
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.1017 0.1057
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.3424 1
Schistosoma mansoni hypothetical protein 0.0016 0.0214 0.0214
Toxoplasma gondii exonuclease III APE 0.002 0.0273 0.0206
Mycobacterium tuberculosis Probable dehydrogenase 0.0404 0.7118 0.8958
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0061 0.1017 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0061 0.1017 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0178 0.3096 0.4091
Schistosoma mansoni hypothetical protein 0.0424 0.7488 0.7488
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0061 0.1017 0.1057
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0088 0.0044
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0061 0.1017 0.1057
Toxoplasma gondii NADPH-glutathione reductase 0.0061 0.1017 0.2803
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.3424 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0088 0.0044
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0016 0.0214 0.0213
Mycobacterium tuberculosis Conserved protein 0.0051 0.0832 0.0801
Schistosoma mansoni cpg binding protein 0.0031 0.0485 0.0485
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0016 0.0214 0.0213
Trypanosoma cruzi polo-like protein kinase, putative 0.0196 0.3424 0.4228
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0051 0.0832 0.0801
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0016 0.0214 0.0383
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0016 0.0214 0.0502
Echinococcus granulosus cpg binding protein 0.0031 0.0485 0.0578
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0273 0.0735
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0273 0.0735
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0273 0.0184
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.1017 0.1057
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0061 0.1017 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0061 0.1017 0.1293
Echinococcus granulosus glutamate synthase 0.0016 0.0214 0.0213
Echinococcus multilocularis thioredoxin glutathione reductase 0.0178 0.3096 0.4091
Echinococcus multilocularis glutamate synthase 0.0016 0.0214 0.0213
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0273 0.0292
Brugia malayi serine/threonine-protein kinase plk-2 0.0196 0.3424 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0051 0.0832 0.7694
Brugia malayi CXXC zinc finger family protein 0.003 0.0455 0.1105
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.3424 1
Onchocerca volvulus 0.003 0.0455 0.0751
Schistosoma mansoni ap endonuclease 0.002 0.0273 0.0273
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0056 0.0056
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0177 0.3077 0.3716
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0051 0.0832 0.7694
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0045 0.0727 0.1919
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0273 0.0206
Schistosoma mansoni cpg binding protein 0.0031 0.0485 0.0485
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0273 0.0677
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0449 0.792 1
Trypanosoma brucei polo-like protein kinase 0.0196 0.3424 0.4228
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.3424 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0196 0.3424 0.4228
Giardia lamblia Kinase, PLK 0.0196 0.3424 1
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0016 0.0214 0.0213
Echinococcus granulosus dnaJ subfamily B 0.0424 0.7488 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0196 0.3424 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0061 0.1017 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0016 0.0214 0.0213
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0051 0.0832 0.0814
Schistosoma mansoni sulfide quinone reductase 0.0016 0.0214 0.0214
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0404 0.7118 0.8958
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1656 0.477
Loa Loa (eye worm) thioredoxin reductase 0.0177 0.3077 0.8962
Schistosoma mansoni ap endonuclease 0.002 0.0273 0.0273
Trypanosoma cruzi hypothetical protein, conserved 0.0442 0.7806 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.1017 0.1057
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0061 0.1017 0.1057
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0045 0.0727 0.1919
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0061 0.1017 0.1057
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.093 0.2501
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0016 0.0214 0.0502
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0016 0.0214 0.0213
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0016 0.0214 0.0213
Onchocerca volvulus Serine\/threonine kinase homolog 0.0196 0.3424 1
Echinococcus granulosus citrate lyase subunit beta protein 0.0051 0.0832 0.1044
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0404 0.7118 0.8958
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0016 0.0214 0.0383
Brugia malayi glutathione reductase 0.0177 0.3077 0.8962
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0273 0.0554
Schistosoma mansoni serine/threonine protein kinase 0.0196 0.3424 0.3424
Trypanosoma cruzi hypothetical protein, conserved 0.0442 0.7806 1
Mycobacterium tuberculosis Probable reductase 0.0404 0.7118 0.8958
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0196 0.3424 0.4532
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0061 0.1017 0.1057
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0061 0.1017 0.1057
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.1017 0.1057
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0061 0.1017 0.1017
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0061 0.1017 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0273 0.0077
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0273 0.0078
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0273 0.0078
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0016 0.0214 0.0213
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0273 0.0735
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0196 0.3424 0.4228
Plasmodium vivax thioredoxin reductase, putative 0.0177 0.3077 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0016 0.0214 0.0502
Loa Loa (eye worm) hypothetical protein 0.0016 0.0214 0.0377
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0404 0.7118 0.8958
Loa Loa (eye worm) programmed cell death 8 0.0016 0.0214 0.0377
Trichomonas vaginalis glutamate synthase, putative 0.0016 0.0214 0.0502
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.105 0.105
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0051 0.0832 0.0814
Giardia lamblia NADH oxidase lateral transfer candidate 0.0061 0.1017 0.2501
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0016 0.0214 0.0502
Mycobacterium tuberculosis Probable oxidoreductase 0.0449 0.792 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0273 0.0184
Trichomonas vaginalis glutathione reductase, putative 0.0061 0.1017 0.2878
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0016 0.0214 0.0502
Plasmodium falciparum thioredoxin reductase 0.0061 0.1017 0.2803
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0016 0.0214 0.0213
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0016 0.0214 0.0213

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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