Detailed information for compound 1482921

Basic information

Technical information
  • TDR Targets ID: 1482921
  • Name: 5-[[4-(phenylmethoxy)phenyl]methylidene]-2-su lfanylidene-1,3-diazinane-4,6-dione
  • MW: 338.38 | Formula: C18H14N2O3S
  • H donors: 2 H acceptors: 2 LogP: 3.03 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1NC(=O)C(=Cc2ccc(cc2)OCc2ccccc2)C(=O)N1
  • InChi: 1S/C18H14N2O3S/c21-16-15(17(22)20-18(24)19-16)10-12-6-8-14(9-7-12)23-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20,21,22,24)
  • InChiKey: ATOXNHIHPBTBSX-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 5-[[4-(phenylmethoxy)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
  • 5-[[4-(phenylmethoxy)phenyl]methylene]-2-thioxohexahydropyrimidine-4,6-dione
  • 5-[4-(benzyloxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
  • ZINC00076580
  • NCIOpen2_009863
  • NSC90732

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sirtuin 2 Starlite/ChEMBL References
Homo sapiens sirtuin 5 Starlite/ChEMBL References
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens sirtuin 1 Starlite/ChEMBL References
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania donovani Silent information regulator 2 related protein 1 Get druggable targets OG5_127826 All targets in OG5_127826
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi transcriptional regulator, Sir2 family protein Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi NAD-dependent deacetylase SIRT1 Get druggable targets OG5_129944 All targets in OG5_129944
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Neospora caninum NAD-dependent deacetylase, putative Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase Get druggable targets OG5_129944 All targets in OG5_129944
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Candida albicans similar to archaebacterial Sir2 family protein Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 Get druggable targets OG5_129944 All targets in OG5_129944
Echinococcus granulosus chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcriptional regulator Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase Get druggable targets OG5_129944 All targets in OG5_129944
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii histone deacetylase SIR2 Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi transcriptional regulatory protein sir2 homologue, putative Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania braziliensis NAD-dependent SIR2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans likely SIR2 family histone deacetylase similar to S. cerevisiae HST2 (YPL015C) involved in telomeric chromatin silencing Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania mexicana NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania braziliensis trypanothione 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Mycobacterium tuberculosis Transcriptional regulatory protein Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei Silent information regulator 2 related protein 1 Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania donovani Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax glutathione 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
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K01463 sirtuin (silent mating type information regulation 2 homolog) 2 [EC:3.5.1.-], putative Get druggable targets OG5_127826 All targets in OG5_127826
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense silent information regulator 2,NAD-dependent SIR2 Get druggable targets OG5_127826 All targets in OG5_127826
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei transcriptional regulatory protein sir2a Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma japonicum ko:K01463 sirtuin 5 (silent mating type information regulation 2 homolog) 5 [EC:3.5.1.-], putative Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma congolense silent information regulator 2 Get druggable targets OG5_127826 All targets in OG5_127826
Entamoeba histolytica Sir2 family transcriptional regulator, putative Get druggable targets OG5_127826 All targets in OG5_127826
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans NAD-dependent deacetylase Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma brucei Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Giardia lamblia Transcriptional regulator, Sir2 family Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania infantum silent information regulator 2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129944 All targets in OG5_129944
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
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 congolense Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Plasmodium yoelii transcriptional regulatory protein, Sir2 family Get druggable targets OG5_127825 All targets in OG5_127825
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Candida albicans likely SIR2 family histone deacetylase similar to S. cerevisiae HST2 (YPL015C) involved in telomeric chromatin silencing Get druggable targets OG5_127826 All targets in OG5_127826
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 Get druggable targets OG5_129944 All targets in OG5_129944
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi Silent information regulator 2 related protein 1 Get druggable targets OG5_127826 All targets in OG5_127826
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129944 All targets in OG5_129944
Trypanosoma cruzi Silent information regulator 2 related protein 1 Get druggable targets OG5_127826 All targets in OG5_127826
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major silent information regulator 2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Plasmodium vivax NAD-dependent deacetylase, putative Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma japonicum expressed protein Get druggable targets OG5_129944 All targets in OG5_129944
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia NAD-dependent histone deacetylase Sir2 Get druggable targets OG5_129944 All targets in OG5_129944
Entamoeba histolytica Sir2 family transcriptional regulator, putative Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 Get druggable targets OG5_127826 All targets in OG5_127826
Schistosoma japonicum ko:K01463 sirtuin 1 (silent mating type information regulation 2, homolog) 1 [EC:3.5.1.-], putative Get druggable targets OG5_129944 All targets in OG5_129944
Plasmodium falciparum transcriptional regulatory protein sir2a Get druggable targets OG5_127825 All targets in OG5_127825
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana silent information regulator 2, putative,NAD-dependent SIR2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_129944 All targets in OG5_129944
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Hypothetical protein Get druggable targets OG5_127826 All targets in OG5_127826
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 Get druggable targets OG5_127826 All targets in OG5_127826
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica Sir2 family transcriptional regulator, putative Get druggable targets OG5_127826 All targets in OG5_127826
Candida albicans similar to archaebacterial Sir2 family protein Get druggable targets OG5_127825 All targets in OG5_127825
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium falciparum transcriptional regulatory protein sir2a sirtuin 2 234 aa 207 aa 26.1 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei SIR2-like protein 4, putative sirtuin 5 292 aa 272 aa 29.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0076 0.159 0.1396
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3342 0.4266
Brugia malayi TAR-binding protein 0.0076 0.159 0.1453
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0191 0.6911 1
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0102 0.2775 0.5111
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3342 0.4294
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3342 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3342 0.4266
Trypanosoma cruzi hypothetical protein, conserved 0.0257 1 1
Loa Loa (eye worm) transcriptional regulator 0.0174 0.6144 0.8769
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0102 0.2775 0.3696
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0191 0.6911 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.006 0.0799 0.0182
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0174 0.6144 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.6911 1
Leishmania major silent information regulator 2, putative 0.0174 0.6144 0.586
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0174 0.6144 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3342 0.4294
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0174 0.6144 0.586
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.006 0.0799 0.0182
Schistosoma mansoni tar DNA-binding protein 0.0076 0.159 0.1396
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.4774 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0174 0.6144 0.8769
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.006 0.0799 0.0228
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0174 0.6144 0.586
Toxoplasma gondii histone deacetylase SIR2 0.0102 0.2775 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.006 0.0799 0.0182
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3342 0.4294
Plasmodium falciparum transcriptional regulatory protein sir2b 0.006 0.0799 0.0542
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3342 0.4266
Schistosoma mansoni chromatin regulatory protein sir2 0.0174 0.6144 0.8761
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3342 0.2851
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3342 0.4294
Loa Loa (eye worm) RNA binding protein 0.0076 0.159 0.1453
Schistosoma mansoni tar DNA-binding protein 0.0076 0.159 0.1396
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3342 0.2851
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.159 0.1453
Echinococcus multilocularis chromatin regulatory protein sir2 0.0174 0.6144 0.8769
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0174 0.6144 0.8769
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4096 0.8342
Brugia malayi NAD-dependent deacetylase SIRT1 0.0191 0.6911 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.4774 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0174 0.6144 0.8775
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0191 0.6911 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.4136 0.5542
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0102 0.2775 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0191 0.6911 1
Trypanosoma brucei hypothetical protein, conserved 0.0257 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0102 0.2775 0.2243
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0102 0.2775 0.3388
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3342 0.2851
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4096 0.8342
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3342 0.4294
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0102 0.2775 0.2243
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.006 0.0799 0.0182
Toxoplasma gondii histone deacetylase SIR2-like 0.006 0.0799 0.0542
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0191 0.6911 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0174 0.6144 0.8775
Schistosoma mansoni tar DNA-binding protein 0.0076 0.159 0.1396
Echinococcus granulosus chromatin regulatory protein sir2 0.0174 0.6144 0.8769
Loa Loa (eye worm) transcriptional regulator 0.006 0.0799 0.0182
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4096 0.8342
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0191 0.6911 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3342 0.4756
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0191 0.6911 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.159 0.1453
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.4774 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.006 0.0799 0.0182
Schistosoma mansoni chromatin regulatory protein sir2 0.006 0.0799 0.0117
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0174 0.6144 0.586
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0102 0.2775 0.3388
Mycobacterium tuberculosis Probable reductase 0.013 0.4096 0.8342
Schistosoma mansoni chromatin regulatory protein sir2 0.0102 0.2775 0.3312
Schistosoma mansoni tar DNA-binding protein 0.0076 0.159 0.1396
Leishmania major sir2-family protein-like protein 0.006 0.0799 0.0122
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.159 0.1453
Giardia lamblia Kinase, PLK 0.0114 0.3342 0.416
Mycobacterium ulcerans NAD-dependent deacetylase 0.0102 0.2775 1
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0102 0.2775 0.2243
Plasmodium vivax NAD-dependent deacetylase, putative 0.0102 0.2775 1
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0102 0.2775 0.2243
Trypanosoma brucei polo-like protein kinase 0.0114 0.3342 0.2851
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3342 0.4266
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0191 0.6911 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.006 0.0799 0.0182
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0174 0.6144 0.8769
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0102 0.2775 0.3388
Brugia malayi RNA binding protein 0.0076 0.159 0.1453
Schistosoma mansoni chromatin regulatory protein sir2 0.0174 0.6144 0.8761
Loa Loa (eye worm) transcriptional regulator 0.006 0.0799 0.0182
Giardia lamblia Transcriptional regulator, Sir2 family 0.0102 0.2775 0.3233
Plasmodium vivax hypothetical protein, conserved 0.006 0.0799 0.0542
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.006 0.0799 0.0228
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4096 0.8342
Schistosoma mansoni chromatin regulatory protein sir2 0.0174 0.6144 0.8761
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3342 0.4294
Giardia lamblia Hypothetical protein 0.0174 0.6144 0.8746
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3342 0.4229
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4096 0.8342
Trypanosoma cruzi hypothetical protein, conserved 0.0257 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.159 0.1453
Schistosoma mansoni chromatin regulatory protein sir2 0.006 0.0799 0.0117
Trypanosoma brucei SIR2-like protein 4, putative 0.006 0.0799 0.0122
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.4774 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.4096 0.8581
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3342 0.4294
Loa Loa (eye worm) sirtuin 4 0.006 0.0799 0.0182
Echinococcus multilocularis tar DNA binding protein 0.0076 0.159 0.1453

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9.8 uM Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay ChEMBL. 24900427
IC50 (binding) = 10.5 uM Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay ChEMBL. 24900427
IC50 (binding) = 12.6 uM Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay ChEMBL. 24900427
IC50 (binding) = 29.3 uM Inhibition of recombinant SIRT3 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay ChEMBL. 24900427
Potency (functional) 2.6679 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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) 10 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

1 literature reference was collected for this gene.

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