Detailed information for compound 862766

Basic information

Technical information
  • TDR Targets ID: 862766
  • Name: 4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-N -(pyridin-2-ylmethyl)-1,3-thiazol-5-amine
  • MW: 451.583 | Formula: C19H21N3O4S3
  • H donors: 1 H acceptors: 6 LogP: 4.24 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCS(=O)(=O)c1sc(c(n1)S(=O)(=O)c1ccc(cc1)C)NCc1ccccn1
  • InChi: 1S/C19H21N3O4S3/c1-3-12-28(23,24)19-22-18(29(25,26)16-9-7-14(2)8-10-16)17(27-19)21-13-15-6-4-5-11-20-15/h4-11,21H,3,12-13H2,1-2H3
  • InChiKey: PMJULBYOEVEETO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-N-(2-pyridylmethyl)thiazol-5-amine
  • 4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-N-(2-pyridylmethyl)-5-thiazolamine
  • [4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-thiazol-5-yl]-(2-pyridylmethyl)amine
  • 4-[(4-methylphenyl)sulfonyl]-2-(propylsulfonyl)-N-(pyridin-2-ylmethyl)-1,3-thiazol-5-amine
  • MLS000660518
  • SMR000310037

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase 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
Brugia malayi 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
Brugia malayi 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii 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
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum thioredoxin 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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin 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
Trypanosoma brucei gambiense trypanothione 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
Plasmodium knowlesi thioredoxin reductase, putative 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum trypanothione reductase 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 falciparum glutathione 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 congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi glutathione 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
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 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0285 0.0743 0.1787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Brugia malayi Cathepsin L-like precursor 0.0781 0.2772 0.3127
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.0538 0.8342
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.112 0.4156 0.4687
Brugia malayi Papain family cysteine protease containing protein 0.112 0.4156 0.4688
Giardia lamblia Cathepsin B precursor 0.124 0.4645 1
Plasmodium vivax unspecified product 0.0623 0.2126 0.5117
Plasmodium falciparum serine repeat antigen 2 0.0285 0.0743 0.1787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0623 0.2126 0.2126
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0285 0.0743 0.1787
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Plasmodium falciparum cysteine proteinase falcipain 1 0.0623 0.2126 0.5117
Brugia malayi Cathepsin L-like precursor 0.112 0.4156 0.4688
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0285 0.0743 0.1787
Brugia malayi Papain family cysteine protease containing protein 0.0623 0.2126 0.2399
Trypanosoma cruzi major cysteine proteinase, putative 0.1715 0.6587 0.6587
Echinococcus multilocularis cathepsin l cysteine peptidase 0.112 0.4156 0.4687
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Loa Loa (eye worm) hypothetical protein 0.0285 0.0743 0.0838
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0285 0.0743 0.0838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Brugia malayi Cathepsin L-like precursor 0.112 0.4156 0.4688
Echinococcus multilocularis cathepsin L 0.0285 0.0743 0.0835
Onchocerca volvulus Cathepsin L homolog 0.112 0.4156 1
Echinococcus multilocularis cathepsin L 0.0623 0.2126 0.2397
Plasmodium vivax unspecified product 0.0339 0.0964 0.2319
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Plasmodium vivax vivapain-1 0.0623 0.2126 0.5117
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2273 0.8864 1
Trypanosoma cruzi cysteine peptidase, putative 0.2551 1 1
Loa Loa (eye worm) hypothetical protein 0.0285 0.0743 0.0838
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2273 0.8864 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.0645 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2273 0.8864 1
Schistosoma mansoni cathepsin F (C01 family) 0.112 0.4156 0.4203
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.124 0.4645 0.4805
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0623 0.2126 0.2126
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0339 0.0964 0.1087
Brugia malayi cathepsin B-like cysteine proteinase 0.2273 0.8864 1
Giardia lamblia Cathepsin B precursor 0.124 0.4645 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.0538 0.8342
Leishmania major cathepsin L-like protease 0.112 0.4156 0.4156
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Brugia malayi Papain family cysteine protease containing protein 0.0623 0.2126 0.2399
Brugia malayi Cathepsin L-like precursor 0.112 0.4156 0.4688
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Echinococcus granulosus cathepsin l1 0.112 0.4156 0.4687
Plasmodium falciparum serine repeat antigen 4 0.0285 0.0743 0.1787
Onchocerca volvulus 0.112 0.4156 1
Onchocerca volvulus Cathepsin F homolog 0.112 0.4156 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0285 0.0743 0.1787
Echinococcus multilocularis cathepsin L cysteine protease 0.112 0.4156 0.4687
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0285 0.0743 0.0838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0285 0.0743 0.1787
Plasmodium falciparum serine repeat antigen 5 0.0285 0.0743 0.1787
Brugia malayi cathepsin L-like precursor 0.0781 0.2772 0.3127
Trypanosoma brucei cysteine peptidase C (CPC) 0.124 0.4645 0.4645
Trypanosoma cruzi cysteine peptidase, putative 0.2551 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Onchocerca volvulus 0.0781 0.2772 0.5946
Plasmodium vivax serine-repeat antigen (SERA) 0.0285 0.0743 0.1787
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.2273 0.8864 0.8864
Schistosoma mansoni cathepsin s 0.0339 0.0964 0.0272
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0623 0.2126 0.1704
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0623 0.2126 0.2126
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0285 0.0743 0.1787
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0285 0.0743 0.1787
Trypanosoma cruzi cruzipain precursor, putative 0.2551 1 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0285 0.0743 0.0838
Echinococcus granulosus cathepsin L 0.0285 0.0743 0.0835
Toxoplasma gondii cathepsin CPC2 0.0285 0.0743 0.1599
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0285 0.0743 0.1787
Toxoplasma gondii preprocathepsin c precursor, putative 0.0285 0.0743 0.1599
Plasmodium falciparum cysteine proteinase falcipain 3 0.112 0.4156 1
Loa Loa (eye worm) cathepsin B 0.124 0.4645 0.524
Brugia malayi fibroinase precursor 0.0285 0.0743 0.0838
Loa Loa (eye worm) hypothetical protein 0.0339 0.0964 0.1087
Plasmodium falciparum serine repeat antigen 9 0.0285 0.0743 0.1787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0781 0.2772 0.5201
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0285 0.0743 0.0838
Onchocerca volvulus 0.112 0.4156 1
Toxoplasma gondii cathepsin B 0.124 0.4645 1
Loa Loa (eye worm) hypothetical protein 0.0339 0.0964 0.1087
Plasmodium vivax vivapain-3 0.0623 0.2126 0.5117
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Brugia malayi cathepsin Z-like cysteine proteinase 0.0285 0.0743 0.0838
Echinococcus granulosus cathepsin L cysteine protease 0.0623 0.2126 0.2397
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0339 0.0964 0.1087
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0285 0.0743 0.1787
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.124 0.4645 1
Entamoeba histolytica cysteine proteinase, putative 0.112 0.4156 1
Loa Loa (eye worm) fibroinase 0.112 0.4156 0.4688
Echinococcus multilocularis cysteine protease 0.112 0.4156 0.4687
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0285 0.0743 0.1787
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0781 0.2772 0.5946
Onchocerca volvulus 0.112 0.4156 1
Trypanosoma cruzi cysteine peptidase, putative 0.0339 0.0964 0.0964
Mycobacterium tuberculosis Probable reductase 0.0234 0.0538 0.8342
Echinococcus multilocularis cathepsin b 0.2273 0.8864 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Loa Loa (eye worm) hypothetical protein 0.0285 0.0743 0.0838
Leishmania major cathepsin L-like protease 0.112 0.4156 0.4156
Loa Loa (eye worm) hypothetical protein 0.0339 0.0964 0.1087
Leishmania major cathepsin L-like protease 0.112 0.4156 0.4156
Trypanosoma cruzi cruzipain precursor, putative 0.0339 0.0964 0.0964
Loa Loa (eye worm) papain family cysteine protease containing protein 0.112 0.4156 0.4688
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.112 0.4156 0.8746
Trypanosoma cruzi cysteine proteinase, putative 0.0623 0.2126 0.2126
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.112 0.4156 0.4688
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.124 0.4645 0.4645
Entamoeba histolytica cysteine proteinase, putative 0.0623 0.2126 0.4054
Onchocerca volvulus 0.112 0.4156 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Echinococcus granulosus cathepsin L 0.0623 0.2126 0.2397
Plasmodium vivax serine-repeat antigen (SERA) 0.0285 0.0743 0.1787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Loa Loa (eye worm) hypothetical protein 0.0781 0.2772 0.3127
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0623 0.2126 0.1704
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Onchocerca volvulus 0.112 0.4156 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.2212 0.8616 0.8616
Plasmodium vivax unspecified product 0.0285 0.0743 0.1787
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Plasmodium vivax vivapain-2 0.112 0.4156 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0623 0.2126 0.1704
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Echinococcus granulosus cathepsin b 0.2273 0.8864 1
Brugia malayi Papain family cysteine protease containing protein 0.0285 0.0743 0.0838
Loa Loa (eye worm) hypothetical protein 0.112 0.4156 0.4688
Plasmodium vivax vivapain-2 0.112 0.4156 1
Leishmania major cathepsin L-like protease 0.112 0.4156 0.4156
Echinococcus granulosus cathepsin l1 0.0781 0.2772 0.3125
Trypanosoma cruzi cysteine peptidase, putative 0.112 0.4156 0.4156
Loa Loa (eye worm) hypothetical protein 0.0285 0.0743 0.0838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Onchocerca volvulus Cathepsin L homolog 0.112 0.4156 1
Plasmodium falciparum serine repeat antigen 6 0.0285 0.0743 0.1787
Toxoplasma gondii cathepsin CPC1 0.0285 0.0743 0.1599
Loa Loa (eye worm) cysteine protease 0.112 0.4156 0.4688
Loa Loa (eye worm) hypothetical protein 0.0781 0.2772 0.3127
Brugia malayi cathepsin F-like cysteine proteinase 0.0339 0.0964 0.1087
Trypanosoma cruzi cysteine peptidase, putative 0.0623 0.2126 0.2126
Trypanosoma cruzi major cysteine proteinase, putative 0.0285 0.0743 0.0743
Entamoeba histolytica cysteine proteinase, putative 0.0623 0.2126 0.4054
Loa Loa (eye worm) ctsf protein 0.112 0.4156 0.4688
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Onchocerca volvulus 0.112 0.4156 1
Brugia malayi Cathepsin L-like precursor 0.0781 0.2772 0.3127
Loa Loa (eye worm) hypothetical protein 0.2273 0.8864 1
Trypanosoma cruzi cysteine proteinase, putative 0.0623 0.2126 0.2126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0781 0.2772 0.5201
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0285 0.0743 0.1787
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.0645 1
Echinococcus multilocularis cysteine protease 0.112 0.4156 0.4687
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.112 0.4156 0.4687
Brugia malayi Cathepsin L-like precursor 0.112 0.4156 0.4688
Trypanosoma cruzi cysteine protease, putative 0.0623 0.2126 0.2126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0623 0.2126 0.3546
Brugia malayi Cathepsin L-like precursor 0.112 0.4156 0.4688
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Entamoeba histolytica cysteine proteinase, putative 0.0623 0.2126 0.4054
Plasmodium falciparum serine repeat antigen 7 0.0285 0.0743 0.1787
Echinococcus granulosus cathepsin b 0.2273 0.8864 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.0645 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.112 0.4156 0.4687
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.2273 0.8864 1
Giardia lamblia Cathepsin B precursor 0.124 0.4645 1
Brugia malayi Cathepsin L-like precursor 0.112 0.4156 0.4688
Echinococcus granulosus cathepsin L cysteine proteinase 0.112 0.4156 0.4687
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Entamoeba histolytica cysteine proteinase 1, putative 0.0623 0.2126 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.112 0.4156 0.8746
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Toxoplasma gondii cathepsin CPL 0.112 0.4156 0.8947
Loa Loa (eye worm) hypothetical protein 0.0285 0.0743 0.0838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0285 0.0743 0.1787
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0781 0.2772 0.2499
Loa Loa (eye worm) hypothetical protein 0.0285 0.0743 0.0838
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0285 0.0743 0.1787
Brugia malayi Papain family cysteine protease containing protein 0.0285 0.0743 0.0838
Brugia malayi cathepsin Z-like cysteine proteinase 0.0285 0.0743 0.0838
Brugia malayi cathepsin L precursor 0.0285 0.0743 0.0838
Leishmania major cathepsin L-like protease 0.2551 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.2551 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.112 0.4156 0.4203
Plasmodium falciparum cysteine proteinase falcipain 2a 0.112 0.4156 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0623 0.2126 0.4054
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.0538 0.8342
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Brugia malayi Cathepsin L-like cysteine proteinase 0.0781 0.2772 0.3127
Brugia malayi cathepsin F-like cysteine proteinase 0.0285 0.0743 0.0838
Plasmodium falciparum serine repeat antigen 8 0.0285 0.0743 0.1787
Leishmania major cathepsin L-like protease 0.2551 1 1
Leishmania major cysteine peptidase A (CPA) 0.112 0.4156 0.4156
Plasmodium falciparum serine repeat antigen 1 0.0285 0.0743 0.1787
Brugia malayi Cathepsin L-like precursor 0.0339 0.0964 0.1087
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Plasmodium falciparum serine repeat antigen 3 0.0285 0.0743 0.1787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.112 0.4156 0.8746
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.0538 0.8342
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.2551 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0285 0.0743 0.0838
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.0538 0.8342
Entamoeba histolytica cysteine protease, putative 0.112 0.4156 1
Entamoeba histolytica cysteine proteinase 2 0.0623 0.2126 0.4054
Leishmania major cathepsin L-like protease 0.112 0.4156 0.4156
Entamoeba histolytica cysteine protease, putative 0.0623 0.2126 0.4054
Echinococcus granulosus cysteine protease 0.0623 0.2126 0.2397
Plasmodium falciparum cysteine proteinase falcipain 2b 0.112 0.4156 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Echinococcus multilocularis cathepsin b 0.2273 0.8864 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0285 0.0743 0.0838
Loa Loa (eye worm) hypothetical protein 0.0781 0.2772 0.3127
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.124 0.4645 0.4645
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.112 0.4156 0.8746
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0623 0.2126 0.3546
Entamoeba histolytica cysteine proteinase, putative 0.112 0.4156 1
Onchocerca volvulus 0.112 0.4156 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.0645 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 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 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) 19.9526 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) 20.7865 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 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

No literature references available for this target.

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