Detailed information for compound 1391232

Basic information

Technical information
  • TDR Targets ID: 1391232
  • Name: 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan -2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidi ne-5-carboxylate
  • MW: 425.263 | Formula: C19H18Cl2N2O5
  • H donors: 2 H acceptors: 2 LogP: 2.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(o1)c1cc(Cl)ccc1Cl
  • InChi: 1S/C19H18Cl2N2O5/c1-10-16(18(24)27-8-7-26-2)17(23-19(25)22-10)15-6-5-14(28-15)12-9-11(20)3-4-13(12)21/h3-6,9,17H,7-8H2,1-2H3,(H2,22,23,25)
  • InChiKey: VNNPWFPFVADQOP-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)-2-furyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
  • 4-[5-(2,5-dichlorophenyl)-2-furyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester
  • 4-[5-(2,5-dichlorophenyl)-2-furyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester
  • STOCK1S-72396
  • BAS 01151524
  • MLS000678363
  • AG-690/13702111
  • SMR000285257

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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 trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva thioredoxin reductase, 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Thioredoxin reductase 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
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax glutathione reductase, putative 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 berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0028 0.0967 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.5416 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.6097 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0967 0.1241
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0967 0.4157
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1988 0.6787
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.2917 0.8085
Plasmodium vivax glutathione reductase, putative 0.0046 0.1988 1
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0714 0.7392
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.024 0.1206
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0967 0.2158
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.5416 0.8837
Loa Loa (eye worm) hypothetical protein 0.01 0.5193 0.518
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0714 0.1409
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0027 0.0075
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.3607 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.024 0.0665
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.2917 0.7949
Trypanosoma brucei protein kinase, putative 0.0062 0.2917 1
Treponema pallidum NADH oxidase 0.0016 0.024 0.2264
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2917 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.0027 0.0035
Toxoplasma gondii thioredoxin reductase 0.0046 0.1988 0.5512
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2024 0.3602
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.0714 0.0689
Loa Loa (eye worm) hypothetical protein 0.0024 0.0714 0.0689
Leishmania major trypanothione reductase 0.0046 0.1988 0.5192
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.0714 0.0958
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3607 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.3607 0.575
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.5416 0.8837
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.2917 0.7949
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.2917 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.6097 1
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.5193 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.2917 0.5404
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.024 0.0736
Loa Loa (eye worm) RecQ helicase 0.0024 0.0714 0.0689
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.2917 0.5404
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0714 0.1773
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.5193 0.5075
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.5193 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.0714 0.0958
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0714 0.2379
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.024 0.0736
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0967 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0714 0.0486
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.2917 1
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0967 0.2715
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.6097 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 0.0714 0.2715
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0714 0.0958
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2917 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2024 0.3602
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1988 1
Onchocerca volvulus 0.0182 1 1
Brugia malayi glutathione reductase 0.0046 0.1988 0.1791
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.5193 0.659
Mycobacterium tuberculosis Probable reductase 0.0104 0.5416 0.8837
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0967 0.268
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.024 0.0736
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.3607 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.5416 0.8837
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3607 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3607 0.4577
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3607 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.1988 0.1966
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1988 0.1966
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.3607 0.6798
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.2917 0.5404
Brugia malayi Thioredoxin reductase 0.0046 0.1988 0.1791
Entamoeba histolytica recQ family DNA helicase 0.0012 0.0027 0.0281
Loa Loa (eye worm) hypothetical protein 0.0182 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.024 0.0736
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0714 0.0486
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0714 0.1773
Schistosoma mansoni DNA helicase recq1 0.0024 0.0714 0.0907
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.2917 0.3701
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.024 0.0736
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2917 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.024 0.0736
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2917 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0714 0.2715
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.024 0.0304
Plasmodium falciparum thioredoxin reductase 0.0046 0.1988 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.0714 0.0958
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.024 0.0736
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3607 0.4577
Echinococcus granulosus bloom syndrome protein 0.0024 0.0714 0.0958
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0967 0.4862
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.024 0.0665
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.00000000057956
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0027 0.0137
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.2917 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.0714 0.1773
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.2917 0.5404
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1988 0.2985
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0967 0.2158
Trypanosoma brucei trypanothione reductase 0.0046 0.1988 0.6531
Plasmodium falciparum glutathione reductase 0.0046 0.1988 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.024 0.1206
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.5416 0.8672
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.024 0.0736
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0714 0.1773
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.2917 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.6097 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.2917 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.5416 0.8837
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0714 0.1981
Brugia malayi MAP kinase sur-1 0.0062 0.2917 0.2742
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.024 0.0736
Schistosoma mansoni DNA helicase recq5 0.0024 0.0714 0.0907
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0714 0.0486
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0967 0.2158
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.3607 0.6798
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.2917 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0967 0.268
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0714 0.1981
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.0714 0.0958
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0714 0.1773
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0967 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0967 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.2917 0.2897

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 3.1623 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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