Detailed information for compound 1392707

Basic information

Technical information
  • TDR Targets ID: 1392707
  • Name: (5E)-1-(4-methoxyphenyl)-5-[(1-methylindol-3- yl)methylidene]-1,3-diazinane-2,4,6-trione
  • MW: 375.377 | Formula: C21H17N3O4
  • H donors: 1 H acceptors: 3 LogP: 2.75 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cn(c3c2cccc3)C)/C1=O
  • InChi: 1S/C21H17N3O4/c1-23-12-13(16-5-3-4-6-18(16)23)11-17-19(25)22-21(27)24(20(17)26)14-7-9-15(28-2)10-8-14/h3-12H,1-2H3,(H,22,25,27)/b17-11+
  • InChiKey: WXKKRFFTBPALMC-GZTJUZNOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-methoxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
  • (5E)-1-(4-methoxyphenyl)-5-[(1-methylindol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione
  • 1-(4-methoxyphenyl)-5-[(1-methylindol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione
  • 1-(4-methoxyphenyl)-5-[(1-methyl-3-indolyl)methylene]hexahydropyrimidine-2,4,6-trione
  • (5E)-1-(4-methoxyphenyl)-5-[(1-methyl-3-indolyl)methylene]hexahydropyrimidine-2,4,6-trione
  • 1-(4-methoxyphenyl)-5-[(1-methylindol-3-yl)methylene]barbituric acid
  • (5E)-1-(4-methoxyphenyl)-5-[(1-methylindol-3-yl)methylene]barbituric acid
  • ZINC01406624
  • STK174996

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Caenorhabditis elegans Protein POS-1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Caenorhabditis elegans Protein MEX-5 Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0818 0.6087
Trypanosoma brucei trypanothione reductase 0.0046 0.2919 1
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0213 0.0731
Echinococcus granulosus dna polymerase kappa 0.0023 0.1344 0.4539
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0213 0.0493
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0835 0.2862
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1344 0.4606
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0818 0.2803
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2145 0.7348
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.2476 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1344 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0818 0.2803
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0818 0.2803
Plasmodium falciparum glutathione reductase 0.0046 0.2919 1
Plasmodium falciparum thioredoxin reductase 0.0016 0.0818 0.2803
Leishmania major DNA polymerase eta, putative 0.0023 0.1344 0.4606
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0311 0.1049
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1344 0.4606
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.2919 1
Plasmodium falciparum glutathione reductase 0.0016 0.0818 0.2803
Schistosoma mansoni cpg binding protein 0.0035 0.2145 0.2145
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0523 0.179
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0012 0.0567 0.6933
Leishmania major DNA damage repair protein, putative 0.0007 0.0213 0.0731
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.2476 0.8482
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0213 0.0213
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.1012
Echinococcus multilocularis expressed protein 0.004 0.2543 0.8585
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2962 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0818 0.2803
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.7856 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.1344 0.4606
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1344 0.4539
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0257 0.1012
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0213 0.0731
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.7038 0.8958
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0213 0.0731
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0311 0.1049
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0311 0.1049
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0213 0.0731
Onchocerca volvulus 0.0035 0.2145 1
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0213 0.0731
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.1344 0.4606
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.1012
Echinococcus granulosus cpg binding protein 0.0037 0.2284 0.7711
Trypanosoma brucei unspecified product 0.0016 0.0835 0.2862
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0818 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.1012
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.2476 0.8482
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.7038 0.8958
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0459 0.1551
Brugia malayi polk-prov protein 0.0007 0.0213 0.0731
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0567 0.1944
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1344 0.1711
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1344 0.1711
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0213 0.0731
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0818 0.2803
Loa Loa (eye worm) glutathione reductase 0.0046 0.2919 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Trichomonas vaginalis conserved hypothetical protein 0.004 0.2543 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0567 0.1944
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0818 0.3218
Brugia malayi glutathione reductase 0.0046 0.2919 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0818 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0213 0.0731
Giardia lamblia DINP protein human, muc B family 0.0023 0.1344 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.2919 0.3716
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1344 0.1344
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0818 0.2803
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.2543 0.8711
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0818 0.2803
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Plasmodium falciparum thioredoxin reductase 0.0046 0.2919 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0818 0.2803
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.2476 0.8482
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.7038 0.8958
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1344 0.4606
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.7038 0.8958
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0567 0.1944
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0213 0.0731
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0818 0.2803
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.2476 0.8482
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.1012
Schistosoma mansoni cpg binding protein 0.0037 0.2284 0.2284
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1344 0.4606
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0818 0.2803
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0818 0.2763
Echinococcus multilocularis cpg binding protein 0.0037 0.2284 0.7711
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0818 0.2803
Treponema pallidum NADH oxidase 0.0016 0.0818 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.4328 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1344 0.4606
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1344 0.5287
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0818 0.2803
Schistosoma mansoni cpg binding protein 0.0037 0.2284 0.2284
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0818 0.1891
Mycobacterium tuberculosis Probable reductase 0.0104 0.7038 0.8958
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0213 0.0493
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0818 0.2803
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0257 0.1012
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0311 0.1049
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.2543 0.8711
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0818 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0213 0.0731
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0054 0.0054
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0311 0.0311
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0213 0.0731
Echinococcus granulosus expressed protein 0.004 0.2543 0.8585
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1344 0.543
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0818 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Trypanosoma brucei unspecified product 0.0016 0.0835 0.2862
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0818 0.2803
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1344 0.4606
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1344 0.4539
Toxoplasma gondii thioredoxin reductase 0.0046 0.2919 0.6744
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.1012
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0213 0.0731
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0459 0.1574
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0818 0.2803
Leishmania major DNA polymerase eta, putative 0.0007 0.0213 0.0731
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.7038 0.8958
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Giardia lamblia DNA damage repair protein 0.0007 0.0213 0.1587
Leishmania major trypanothione reductase 0.0046 0.2919 1
Schistosoma mansoni rotamase 0.004 0.2543 0.2543
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0835 0.2862
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0818 0.2763
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1344 0.4539
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1344 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.2145 0.7348
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0213 0.0731
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0818 0.1891
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0004 0.0001 0.0004
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0818 0.6087
Trichomonas vaginalis hypothetical protein 0.0004 0.0001 0.0004
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.4881 0.4881
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.2476 0.5721
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0459 0.1551
Leishmania major DNA polymerase kappa, putative 0.0007 0.0213 0.0731
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2962 1
Trichomonas vaginalis rotamase, putative 0.004 0.2543 1
Echinococcus granulosus dna polymerase eta 0.0023 0.1344 0.4539
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.045 0.1541
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0001 0.0004
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0012 0.0567 0.1944
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0818 0.6087
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0818 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.2919 1
Trichomonas vaginalis helicase, putative 0.0008 0.0257 0.1012
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0835 0.2862
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0213 0.0731
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.7856 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.1344 0.1344
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0818 0.3218
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.1344 0.4606
Loa Loa (eye worm) hypothetical protein 0.0007 0.0213 0.0731
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.2919 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.1012
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0012 0.0567 0.1311
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0818 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0818 0.2803
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0213 0.0493
Leishmania major DNA polymerase kappa, putative 0.0023 0.1344 0.4606
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0818 0.2803
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.7856 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1344 0.5287
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0818 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0818 0.0818
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.7856 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1344 0.1344
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0523 0.179
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0818 0.1042
Mycobacterium ulcerans hypothetical protein 0.0007 0.0213 0.1587
Brugia malayi Thioredoxin reductase 0.0046 0.2919 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0818 0.6087
Plasmodium vivax glutathione reductase, putative 0.0046 0.2919 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.7038 0.8958
Echinococcus multilocularis dna polymerase eta 0.0023 0.1344 0.4539
Trichomonas vaginalis rotamase, putative 0.0039 0.2476 0.9737
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1344 0.4606
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.1012
Trypanosoma brucei unspecified product 0.0023 0.1344 0.4606
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0818 0.2803
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0213 0.0731

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 1.046 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 1.153 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) 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
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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