Detailed information for compound 895514

Basic information

Technical information
  • TDR Targets ID: 895514
  • Name: ethyl 3-[[2-(3H-imidazol-4-ylsulfonyl-methyla mino)acetyl]amino]benzoate
  • MW: 366.392 | Formula: C15H18N4O5S
  • H donors: 2 H acceptors: 5 LogP: 0.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccc(c1)NC(=O)CN(S(=O)(=O)c1c[nH]cn1)C
  • InChi: 1S/C15H18N4O5S/c1-3-24-15(21)11-5-4-6-12(7-11)18-13(20)9-19(2)25(22,23)14-8-16-10-17-14/h4-8,10H,3,9H2,1-2H3,(H,16,17)(H,18,20)
  • InChiKey: OVLQVAHTNCYOQJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 3-[[2-(3H-imidazol-4-ylsulfonyl-methyl-amino)acetyl]amino]benzoate
  • 3-[[2-(3H-imidazol-4-ylsulfonyl-methylamino)-1-oxoethyl]amino]benzoic acid ethyl ester
  • 3-[[2-(3H-imidazol-4-ylsulfonyl-methyl-amino)acetyl]amino]benzoic acid ethyl ester
  • ethyl 3-[2-(3H-imidazol-4-ylsulfonyl-methyl-amino)ethanoylamino]benzoate
  • MLS000093823
  • SMR000029435
  • ethyl 3-{[N-(1H-imidazol-4-ylsulfonyl)-N-methylglycyl]amino}benzoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor 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
Loa Loa (eye worm) 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
Leishmania braziliensis 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase 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
Leishmania donovani trypanothione reductase 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
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
Neospora caninum MGC84926 protein, related 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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase 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
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
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 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Cathepsin L homolog 0.0392 0.3943 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0093 0.042 0.1066
Brugia malayi Cathepsin L-like precursor 0.0392 0.3943 0.3943
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.027 0.2515 0.5946
Trypanosoma cruzi major cysteine proteinase, putative 0.0093 0.042 0.042
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0093 0.042 0.1066
Plasmodium vivax serine-repeat antigen (SERA) 0.0093 0.042 0.1066
Loa Loa (eye worm) hypothetical protein 0.0093 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0121 0.0755 0.0755
Echinococcus granulosus cysteine protease 0.0214 0.1849 0.1849
Entamoeba histolytica cysteine proteinase, putative 0.0214 0.1849 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Brugia malayi Papain family cysteine protease containing protein 0.0214 0.1849 0.1849
Loa Loa (eye worm) cysteine protease 0.0392 0.3943 0.3943
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Toxoplasma gondii cathepsin CPL 0.0392 0.3943 1
Giardia lamblia Cathepsin B precursor 0.0344 0.3383 1
Brugia malayi Cathepsin L-like precursor 0.0392 0.3943 0.3943
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Leishmania major cathepsin L-like protease 0.0392 0.3943 1
Onchocerca volvulus Cathepsin L homolog 0.0392 0.3943 1
Loa Loa (eye worm) hypothetical protein 0.027 0.2515 0.2515
Entamoeba histolytica cysteine proteinase 1, putative 0.0214 0.1849 0.4054
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0093 0.042 0.1066
Trypanosoma cruzi cruzipain precursor, putative 0.0121 0.0755 0.0755
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0344 0.3383 0.858
Echinococcus multilocularis cathepsin L cysteine protease 0.0392 0.3943 0.3943
Brugia malayi Papain family cysteine protease containing protein 0.0093 0.042 0.042
Plasmodium falciparum serine repeat antigen 2 0.0093 0.042 0.1066
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1034 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Schistosoma mansoni cathepsin F (C01 family) 0.027 0.2515 0.2187
Schistosoma mansoni cathepsin F (C01 family) 0.0392 0.3943 0.3677
Plasmodium falciparum serine repeat antigen 9 0.0093 0.042 0.1066
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0862 0.8342
Plasmodium vivax vivapain-2 0.0392 0.3943 1
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0093 0.042 0.1066
Loa Loa (eye worm) hypothetical protein 0.0093 0.042 0.042
Trypanosoma cruzi major cysteine proteinase, putative 0.0093 0.042 0.042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.027 0.2515 0.5946
Entamoeba histolytica cysteine proteinase, putative 0.027 0.2515 0.5946
Leishmania major cathepsin L-like protease 0.0392 0.3943 1
Brugia malayi Papain family cysteine protease containing protein 0.0093 0.042 0.042
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0093 0.042 0.042
Echinococcus granulosus cathepsin l1 0.0392 0.3943 0.3943
Brugia malayi cathepsin L precursor 0.0093 0.042 0.042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Echinococcus multilocularis cysteine protease 0.0392 0.3943 0.3943
Plasmodium falciparum cysteine proteinase falcipain 3 0.0392 0.3943 1
Onchocerca volvulus 0.0392 0.3943 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Loa Loa (eye worm) hypothetical protein 0.027 0.2515 0.2515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Leishmania major cysteine peptidase A (CPA) 0.0392 0.3943 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Plasmodium falciparum serine repeat antigen 4 0.0093 0.042 0.1066
Echinococcus multilocularis cathepsin L 0.0093 0.042 0.042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Plasmodium falciparum serine repeat antigen 7 0.0093 0.042 0.1066
Onchocerca volvulus 0.0392 0.3943 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.0755 0.0755
Loa Loa (eye worm) ctsf protein 0.0392 0.3943 0.3943
Loa Loa (eye worm) hypothetical protein 0.027 0.2515 0.2515
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0392 0.3943 1
Brugia malayi Cathepsin L-like precursor 0.0121 0.0755 0.0755
Schistosoma mansoni cathepsin s 0.0121 0.0755 0.0349
Echinococcus multilocularis cathepsin L cysteine protease 0.0392 0.3943 0.3943
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Brugia malayi cathepsin L-like precursor 0.027 0.2515 0.2515
Loa Loa (eye worm) hypothetical protein 0.0093 0.042 0.042
Plasmodium vivax vivapain-3 0.0214 0.1849 0.4688
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0214 0.1849 0.4054
Brugia malayi Cathepsin L-like precursor 0.0392 0.3943 0.3943
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0093 0.042 0.1066
Trypanosoma cruzi cysteine peptidase, putative 0.0392 0.3943 0.3943
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0344 0.3383 0.841
Loa Loa (eye worm) hypothetical protein 0.0392 0.3943 0.3943
Leishmania major cathepsin L-like protease 0.0392 0.3943 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0093 0.042 0.1066
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Echinococcus granulosus cathepsin L cysteine protease 0.0214 0.1849 0.1849
Plasmodium vivax vivapain-2 0.0392 0.3943 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0862 0.8342
Brugia malayi Cathepsin L-like precursor 0.027 0.2515 0.2515
Plasmodium vivax serine-repeat antigen (SERA) 0.0093 0.042 0.1066
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1034 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Echinococcus granulosus cathepsin L 0.0093 0.042 0.042
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0905 1 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0093 0.042 0.1066
Entamoeba histolytica cysteine protease, putative 0.0392 0.3943 1
Leishmania major cathepsin L-like protease 0.0392 0.3943 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0121 0.0755 0.0755
Echinococcus multilocularis cathepsin b 0.0905 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0214 0.1849 0.4688
Trypanosoma cruzi cysteine peptidase, putative 0.0392 0.3943 0.3943
Brugia malayi cathepsin F-like cysteine proteinase 0.0093 0.042 0.042
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0093 0.042 0.1066
Echinococcus granulosus cathepsin b 0.0905 1 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0214 0.1849 0.4688
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Loa Loa (eye worm) hypothetical protein 0.0905 1 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0344 0.3383 0.3093
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.027 0.2515 0.2515
Trypanosoma cruzi cysteine peptidase, putative 0.0121 0.0755 0.0755
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0214 0.1849 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Schistosoma mansoni cathepsin F (C01 family) 0.0392 0.3943 0.3677
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0392 0.3943 0.3943
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0392 0.3943 1
Trypanosoma cruzi cysteine peptidase, putative 0.0214 0.1849 0.1849
Entamoeba histolytica cysteine proteinase 2 0.0214 0.1849 0.4054
Onchocerca volvulus 0.0392 0.3943 1
Toxoplasma gondii cathepsin B 0.0344 0.3383 0.858
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0392 0.3943 0.3943
Onchocerca volvulus 0.027 0.2515 0.5946
Echinococcus granulosus cathepsin L cysteine proteinase 0.0392 0.3943 0.3943
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2624 0.2624
Entamoeba histolytica cysteine proteinase, putative 0.0392 0.3943 1
Brugia malayi Cathepsin L-like precursor 0.0392 0.3943 0.3943
Loa Loa (eye worm) hypothetical protein 0.0093 0.042 0.042
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0093 0.042 0.1066
Entamoeba histolytica cysteine proteinase, putative 0.0214 0.1849 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.027 0.2515 0.2515
Brugia malayi Cathepsin L-like precursor 0.0392 0.3943 0.3943
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0214 0.1849 0.1491
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Echinococcus multilocularis cathepsin L 0.0214 0.1849 0.1849
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0905 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0392 0.3943 1
Brugia malayi Papain family cysteine protease containing protein 0.0392 0.3943 0.3943
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0093 0.042 0.1066
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Plasmodium falciparum serine repeat antigen 6 0.0093 0.042 0.1066
Onchocerca volvulus 0.0392 0.3943 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0093 0.042 0.042
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0392 0.3943 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0392 0.3943 0.3943
Trypanosoma cruzi cruzipain precursor, putative 0.0392 0.3943 0.3943
Brugia malayi Cathepsin L-like precursor 0.027 0.2515 0.2515
Plasmodium vivax unspecified product 0.0214 0.1849 0.4688
Onchocerca volvulus 0.0392 0.3943 1
Trypanosoma cruzi cysteine protease, putative 0.0214 0.1849 0.1849
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1034 1
Mycobacterium tuberculosis Probable reductase 0.013 0.0862 0.8342
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0093 0.042 0.042
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0121 0.0755 0.0755
Leishmania major cathepsin L-like protease 0.0392 0.3943 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0093 0.042 0.1066
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0121 0.0755 0.0755
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0392 0.3943 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Brugia malayi fibroinase precursor 0.0093 0.042 0.042
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0862 0.8342
Giardia lamblia Cathepsin B precursor 0.0344 0.3383 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0862 0.8342
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0093 0.042 0.1066
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0392 0.3943 0.3943
Loa Loa (eye worm) hypothetical protein 0.0093 0.042 0.042
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0093 0.042 0.1066
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0214 0.1849 0.1849
Leishmania major cathepsin L-like protease 0.0392 0.3943 1
Toxoplasma gondii cathepsin CPC1 0.0093 0.042 0.1066
Brugia malayi follicle stimulating hormone receptor 0.028 0.2624 0.2624
Leishmania major cathepsin L-like protease 0.0392 0.3943 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0214 0.1849 0.1849
Giardia lamblia Cathepsin B precursor 0.0344 0.3383 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.0755 0.0755
Trypanosoma cruzi cysteine proteinase, putative 0.0214 0.1849 0.1849
Echinococcus multilocularis cysteine protease 0.0392 0.3943 0.3943
Brugia malayi cathepsin L-like cysteine proteinase 0.0093 0.042 0.042
Plasmodium falciparum serine repeat antigen 3 0.0093 0.042 0.1066
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Loa Loa (eye worm) cathepsin B 0.0344 0.3383 0.3383
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Plasmodium falciparum serine repeat antigen 5 0.0093 0.042 0.1066
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0392 0.3943 0.3943
Brugia malayi cathepsin Z-like cysteine proteinase 0.0093 0.042 0.042
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0344 0.3383 0.858
Brugia malayi Papain family cysteine protease containing protein 0.0214 0.1849 0.1849
Onchocerca volvulus 0.0392 0.3943 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Plasmodium vivax unspecified product 0.0093 0.042 0.1066
Brugia malayi Cathepsin L-like precursor 0.0392 0.3943 0.3943
Onchocerca volvulus Cathepsin F homolog 0.0392 0.3943 1
Leishmania major cathepsin L-like protease 0.0392 0.3943 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0093 0.042 0.1066
Plasmodium falciparum serine repeat antigen 8 0.0093 0.042 0.1066
Onchocerca volvulus 0.0392 0.3943 1
Entamoeba histolytica cysteine protease, putative 0.0214 0.1849 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0392 0.3943 0.3943
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0344 0.3383 0.3383
Echinococcus multilocularis cathepsin b 0.0905 1 1
Plasmodium falciparum serine repeat antigen 1 0.0093 0.042 0.1066
Loa Loa (eye worm) fibroinase 0.0392 0.3943 0.3943
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0392 0.3943 0.3943
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0214 0.1849 0.4688
Echinococcus granulosus cathepsin l1 0.027 0.2515 0.2515
Loa Loa (eye worm) hypothetical protein 0.0093 0.042 0.042
Echinococcus granulosus cathepsin b 0.0905 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1034 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0093 0.042 0.042
Entamoeba histolytica cysteine proteinase, putative 0.0214 0.1849 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0214 0.1849 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0392 0.3943 1
Echinococcus granulosus cathepsin L 0.0214 0.1849 0.1849
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0905 1 1
Plasmodium vivax vivapain-1 0.0214 0.1849 0.4688
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0905 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0214 0.1849 0.1491
Plasmodium vivax unspecified product 0.0121 0.0755 0.1915
Brugia malayi Papain family cysteine protease containing protein 0.0093 0.042 0.042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0392 0.3943 1
Toxoplasma gondii cathepsin CPC2 0.0093 0.042 0.1066
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0862 0.8342
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0905 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0392 0.3943 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0093 0.042 0.042
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0214 0.1849 0.1491

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0029 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) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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