Detailed information for compound 1380342

Basic information

Technical information
  • TDR Targets ID: 1380342
  • Name: ethyl 5-amino-3-[(4-amino-5-cyclopropyl-1,2,4 -triazol-3-yl)sulfanylmethyl]-4-cyanothiophen e-2-carboxylate
  • MW: 364.446 | Formula: C14H16N6O2S2
  • H donors: 2 H acceptors: 4 LogP: 2.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc(c(c1CSc1nnc(n1N)C1CC1)C#N)N
  • InChi: 1S/C14H16N6O2S2/c1-2-22-13(21)10-9(8(5-15)11(16)24-10)6-23-14-19-18-12(20(14)17)7-3-4-7/h7H,2-4,6,16-17H2,1H3
  • InChiKey: WEXNOHWXHPSVKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 5-amino-3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate
  • 5-amino-3-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester
  • 5-amino-3-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester
  • T5236464
  • MLS000565919
  • SMR000152996
  • ZINC06844203

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 brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.1256 0.7606
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0321 0.1644
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0505 0.2978
Echinococcus granulosus protein C ets 2 0.0021 0.0383 0.0332
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0138 0.0077
Mycobacterium tuberculosis Probable reductase 0.0175 0.388 0.8958
Trichomonas vaginalis apoptosis inducing factor, putative 0.0007 0.0061 0.0005
Echinococcus multilocularis dna polymerase eta 0.006 0.1256 0.1232
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0289 0.1673
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.006 0.1256 0.1876
Schistosoma mansoni ets-related 0.0445 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.006 0.1256 0.7546
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.0321 0.1847
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0007 0.0061 0.0243
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0027 0.0505 0.0695
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0175 0.388 0.8958
Echinococcus granulosus cpg binding protein 0.0032 0.0633 0.0589
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0027 0.0505 0.1042
Trypanosoma cruzi DNA damage repair protein, putative 0.0019 0.0321 0.1847
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0195 0.4324 1
Plasmodium falciparum thioredoxin reductase 0.0077 0.1645 1
Mycobacterium ulcerans DNA polymerase IV 0.006 0.1256 0.1872
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0007 0.0061 0.0005
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0061 0.0005
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0138 0.0485
Echinococcus granulosus GA binding protein alpha chain 0.0146 0.3227 0.3262
Schistosoma mansoni DNA helicase recq1 0.001 0.0138 0.0138
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0027 0.0505 0.2998
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0007 0.0061 0.0243
Trypanosoma cruzi NADH dehydrogenase, putative 0.0007 0.0061 0.0243
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0019 0.0321 0.1847
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0007 0.0061 0.0005
Brugia malayi glutaminase DH11.1 0.0288 0.6446 0.6424
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0907 0.0907
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0475 0.0654
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0505 0.2978
Loa Loa (eye worm) hypothetical protein 0.0019 0.0321 0.03
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0007 0.0061 0.004
Loa Loa (eye worm) D-ets-2 protein 0.0021 0.0383 0.0362
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0058 0.00000000015315
Schistosoma mansoni glutamate synthase 0.0007 0.0061 0.0061
Echinococcus multilocularis ETS transcription factor Elf 1 0.0021 0.0383 0.0332
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0027 0.0505 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.006 0.1256 0.7546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0907 0.0907
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Leishmania major trypanothione reductase 0.0077 0.1645 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0208 0.0926
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0073 0.0012
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0138 0.0079
Entamoeba histolytica disulphide oxidoreductase, putative 0.0007 0.0061 0.0356
Schistosoma mansoni glutamate synthase 0.0007 0.0061 0.0061
Plasmodium vivax glutathione reductase, putative 0.0077 0.1645 1
Loa Loa (eye worm) glutaminase 2 0.0288 0.6446 0.6438
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0027 0.0505 0.0695
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0058 0.00000000015315
Trypanosoma brucei unspecified product 0.006 0.1256 0.7546
Echinococcus multilocularis protein C ets 2 0.0021 0.0383 0.0332
Giardia lamblia DINP protein human, muc B family 0.006 0.1256 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0027 0.0505 0.0695
Trypanosoma brucei unspecified product 0.0041 0.0836 0.489
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0019 0.0321 0.1847
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0027 0.0505 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0836 0.489
Giardia lamblia DNA damage repair protein 0.0019 0.0321 0.2178
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0593 0.0573
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0007 0.0061 0.0005
Schistosoma mansoni sulfide quinone reductase 0.0007 0.0061 0.0061
Trypanosoma brucei DNA polymerase IV, putative 0.006 0.1256 0.7546
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0007 0.0061 0.0243
Brugia malayi transcription factor E74 isoform 0.0021 0.0383 0.0324
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0007 0.0061 0.0356
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0007 0.0061 0.0243
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.002 0.0345 0.0285
Loa Loa (eye worm) hypothetical protein 0.0021 0.0383 0.0362
Echinococcus granulosus thioredoxin glutathione reductase 0.0078 0.1668 0.1656
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0146 0.3227 0.3213
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0321 0.1644
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0138 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0836 0.489
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0027 0.0505 0.2803
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0058 0.00000000015315
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0073 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Trypanosoma brucei DNA polymerase IV, putative 0.006 0.1256 0.7546
Trypanosoma brucei DNA damage repair protein, putative 0.0019 0.0321 0.1644
Brugia malayi glutathione reductase 0.0077 0.1645 0.1594
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0007 0.0061 0.0243
Schistosoma mansoni glutamate synthase 0.0007 0.0061 0.0061
Brugia malayi DNA-binding protein D-ETS-3 0.0021 0.0383 0.0324
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0175 0.388 0.8958
Brugia malayi ImpB/MucB/SamB family protein 0.006 0.1256 0.1203
Trypanosoma brucei unspecified product 0.0041 0.0836 0.489
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0061 0.0005
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0115 0.0094
Echinococcus granulosus bloom syndrome protein 0.0025 0.0475 0.0427
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Mycobacterium tuberculosis Probable oxidoreductase 0.0195 0.4324 1
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.0321 0.1847
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0475 0.0654
Toxoplasma gondii thioredoxin reductase 0.0077 0.1645 1
Echinococcus multilocularis dnaJ subfamily B 0.0434 0.9767 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0175 0.388 0.8958
Leishmania major DNA polymerase eta, putative 0.0019 0.0321 0.1644
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0061 0.0005
Trypanosoma brucei chrX additional, unordered contigs 0.0019 0.0321 0.1644
Treponema pallidum thioredoxin reductase (trxB) 0.0007 0.0061 0.0817
Schistosoma mansoni DNA polymerase eta 0.006 0.1256 0.1256
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0505 0.2978
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0027 0.0505 0.0505
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0138 0.0717
Mycobacterium ulcerans hypothetical protein 0.0019 0.0321 0.0408
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0027 0.0505 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0505 0.2978
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0027 0.0505 0.0447
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0112 0.0051
Trypanosoma cruzi trypanothione reductase, putative 0.0027 0.0505 0.2978
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0019 0.0321 0.1847
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.006 0.1256 0.1232
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Mycobacterium ulcerans DNA polymerase IV 0.006 0.1256 0.1872
Schistosoma mansoni DNA helicase recq5 0.001 0.0138 0.0138
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0907 0.0887
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0058 0.00000000015315
Trichomonas vaginalis glutamate synthase, putative 0.0007 0.0061 0.0005
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0117
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.006 0.1256 0.1256
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0027 0.0505 0.0457
Onchocerca volvulus 0.003 0.0593 1
Plasmodium falciparum glutathione reductase 0.0027 0.0505 0.2803
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0007 0.0061 0.0005
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0138 0.0717
Loa Loa (eye worm) glutathione reductase 0.0077 0.1645 0.1627
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0138 0.0117
Plasmodium falciparum glutathione reductase 0.0077 0.1645 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0383 0.0362
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0475 0.0427
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0007 0.0061 0.0356
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0027 0.0505 0.2998
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0138 0.0079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0907 0.0871
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0195 0.4324 1
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0021 0.0383 0.0362
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0027 0.0505 0.2803
Echinococcus multilocularis ETS transcription factor Elf 2 0.0021 0.0383 0.0332
Trypanosoma brucei hypothetical protein, conserved 0.0019 0.0321 0.1644
Schistosoma mansoni sulfide quinone reductase 0.0007 0.0061 0.0061
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1213 0.7339
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0007 0.0061 0.0356
Brugia malayi ImpB/MucB/SamB family protein 0.006 0.1256 0.1203
Trichomonas vaginalis glutaminase, putative 0.0288 0.6446 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0175 0.388 0.8958
Trypanosoma brucei DNA damage repair protein, putative 0.0019 0.0321 0.1644
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0027 0.0505 0.2978
Entamoeba histolytica deoxycytidyl transferase, putative 0.006 0.1256 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0058 0.00000000015315
Echinococcus granulosus ETS transcription factor Elf 2 0.0021 0.0383 0.0332
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.1256 0.7606
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0073 0.0012
Loa Loa (eye worm) RecQ helicase 0.0025 0.0475 0.0455
Trichomonas vaginalis DNA polymerase eta, putative 0.006 0.1256 0.1876
Schistosoma mansoni DNA polymerase IV / kappa 0.0019 0.0321 0.0321
Loa Loa (eye worm) ets-domain-containing protein 0.0021 0.0383 0.0362
Loa Loa (eye worm) glutaminase 0.0288 0.6446 0.6438
Echinococcus multilocularis dna polymerase kappa 0.006 0.1256 0.1232
Echinococcus granulosus ETS transcription factor Elf 1 0.0021 0.0383 0.0332
Schistosoma mansoni hypothetical protein 0.0007 0.0061 0.0061
Brugia malayi Ets-domain containing protein 0.0146 0.3227 0.3186
Echinococcus granulosus dna polymerase kappa 0.006 0.1256 0.1232
Plasmodium falciparum DNA repair protein REV1, putative 0.0019 0.0321 0.1644
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.137 0.137
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0027 0.0505 0.0457
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0007 0.0061 0.0243
Brugia malayi polk-prov protein 0.0019 0.0321 0.0262
Loa Loa (eye worm) hypothetical protein 0.0125 0.2745 0.2729
Plasmodium falciparum thioredoxin reductase 0.0027 0.0505 0.2803
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0061 0.0005
Echinococcus granulosus dna polymerase eta 0.006 0.1256 0.1232
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0007 0.0061 0.0243
Trypanosoma cruzi DNA polymerase eta, putative 0.006 0.1256 0.7606
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0007 0.0061 0.0271
Treponema pallidum oxidoreductase 0.0007 0.0061 0.0817
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0907 0.0871
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.1256 0.7606
Brugia malayi Thioredoxin reductase 0.0077 0.1645 0.1594
Schistosoma mansoni hypothetical protein 0.0434 0.9767 0.9767
Plasmodium vivax DNA repair protein REV1, putative 0.0019 0.0321 0.187
Entamoeba histolytica recQ family DNA helicase 0.0005 0.0022 0.0037
Loa Loa (eye worm) hypothetical protein 0.006 0.1256 0.1237
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0138 0.0643
Loa Loa (eye worm) thioredoxin reductase 0.0077 0.1645 0.1627
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0073 0.0012
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0505 0.2978
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0061 0.0005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0907 0.0871
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0208 0.1147
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0077 0.1645 0.3716
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0027 0.0505 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0836 0.489
Loa Loa (eye worm) hypothetical protein 0.0007 0.0061 0.004
Leishmania major DNA polymerase kappa, putative 0.0019 0.0321 0.1644
Schistosoma mansoni hypothetical protein 0.0021 0.0383 0.0383
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0027 0.0505 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.006 0.1256 0.1232
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0007 0.0061 0.0243
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0021 0.0383 0.0332
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0061 0.0243
Schistosoma mansoni terminal deoxycytidyl transferase 0.006 0.1256 0.1256
Echinococcus multilocularis ets variant gene 4 0.0021 0.0383 0.0332
Schistosoma mansoni cpg binding protein 0.003 0.0593 0.0593
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0907 0.0851
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0907 0.0871
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0058 0.00000000015315
Toxoplasma gondii selenide, water dikinase 0.0007 0.0061 0.0243
Echinococcus multilocularis ewsr:fli fusion protein type 0.0021 0.0383 0.0332
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0027 0.0505 0.2803
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0208 0.1539
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0475 0.0417
Brugia malayi Ets-domain containing protein 0.0146 0.3227 0.3186
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Trypanosoma cruzi DNA damage repair protein, putative 0.0019 0.0321 0.1847
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0406 0.2175
Mycobacterium ulcerans glutaminase 0.0288 0.6446 1
Echinococcus multilocularis GA binding protein alpha chain 0.0146 0.3227 0.3262
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0195 0.4324 1
Echinococcus granulosus ETS transcription factor Elf 5 0.0021 0.0383 0.0332
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0027 0.0505 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.002 0.0345 0.0285
Schistosoma mansoni glutaminase 0.0288 0.6446 0.6446
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0208 0.0235
Trypanosoma brucei DNA polymerase eta, putative 0.006 0.1256 0.7546
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0321 0.1847
Mycobacterium tuberculosis Conserved hypothetical protein 0.006 0.1256 0.2804
Schistosoma mansoni ets-related 0.0021 0.0383 0.0383
Brugia malayi Ets-domain containing protein 0.0021 0.0383 0.0324
Trichomonas vaginalis glutamate synthase, putative 0.0007 0.0061 0.0005
Schistosoma mansoni hypothetical protein 0.0021 0.0383 0.0383
Schistosoma mansoni elf1 0.0021 0.0383 0.0383
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0907 0.0907
Echinococcus granulosus ETS domain containing protein Elk 1 0.0021 0.0383 0.0332
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0021 0.0383 0.0383
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0027 0.0505 0.2803
Echinococcus multilocularis ETS transcription factor Elf 2 0.0021 0.0383 0.0332
Echinococcus granulosus dnaJ subfamily B 0.0434 0.9767 1
Trichomonas vaginalis glutathione reductase, putative 0.0027 0.0505 0.0701
Plasmodium vivax thioredoxin reductase, putative 0.0077 0.1645 1
Trypanosoma cruzi trypanothione reductase, putative 0.0077 0.1645 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0138 0.0077
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0285 0.1621
Schistosoma mansoni cpg binding protein 0.0032 0.0633 0.0633
Leishmania major DNA polymerase kappa, putative 0.006 0.1256 0.7546
Plasmodium vivax ferrodoxin reductase, putative 0.0007 0.0061 0.0271
Trichomonas vaginalis mercuric reductase, putative 0.0027 0.0505 0.0701
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0007 0.0061 0.0271
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.1256 0.7606
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.006 0.1256 0.2804
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.1256 0.7546
Schistosoma mansoni disulfide oxidoreductase 0.0007 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0127 0.2794 0.2778
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0058 0.00000000015315
Giardia lamblia NADH oxidase lateral transfer candidate 0.0027 0.0505 0.3715
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0505 0.2978
Brugia malayi CXXC zinc finger family protein 0.003 0.0593 0.0536
Trypanosoma cruzi NADH dehydrogenase, putative 0.0007 0.0061 0.0243
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0061 0.0005
Echinococcus granulosus ETS transcription factor Elf 2 0.0021 0.0383 0.0332
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0027 0.0505 0.2978
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.006 0.1256 0.1237
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0007 0.0061 0.0356
Leishmania major DNA polymerase eta, putative 0.006 0.1256 0.7546
Schistosoma mansoni blooms syndrome DNA helicase 0.0005 0.0022 0.0022
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0007 0.0061 0.0356
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0208 0.0926
Echinococcus multilocularis ETS transcription factor Elf 5 0.0021 0.0383 0.0332
Schistosoma mansoni gabp alpha 0.0146 0.3227 0.3227
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0007 0.0061 0.0243
Schistosoma mansoni ets 0.0021 0.0383 0.0383
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0027 0.0505 1
Echinococcus granulosus ewsr:fli fusion protein type 0.0021 0.0383 0.0332
Trypanosoma brucei trypanothione reductase 0.0077 0.1645 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0021 0.0383 0.0362
Schistosoma mansoni cpg binding protein 0.0032 0.0633 0.0633
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0027 0.0505 0.2978
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0058 0.00000000015315
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0027 0.0505 0.2803
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0073 0.0073
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0061 0.0243
Loa Loa (eye worm) fli-1 protein 0.0445 1 1
Leishmania major DNA damage repair protein, putative 0.0019 0.0321 0.1644
Loa Loa (eye worm) programmed cell death 8 0.0007 0.0061 0.004
Toxoplasma gondii NADPH-glutathione reductase 0.0027 0.0505 0.2978
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0115 0.0056
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0175 0.388 0.8958
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0115 0.0056
Echinococcus multilocularis cpg binding protein 0.0032 0.0633 0.0589
Treponema pallidum NADH oxidase 0.0027 0.0505 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0027 0.0505 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0078 0.1668 0.1656
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0007 0.0061 0.0243
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0175 0.388 0.8958
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0355 0.0355
Trypanosoma brucei hypothetical protein, conserved 0.0019 0.0321 0.1644
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0138 0.0079
Entamoeba histolytica thioredoxin reductase, putative 0.0007 0.0061 0.0356

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 26.8545 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

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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