Detailed information for compound 1340278

Basic information

Technical information
  • TDR Targets ID: 1340278
  • Name: 5-[2-(phenoxy)ethylsulfanyl]-2H-1,2,4-triazol -3-amine
  • MW: 236.293 | Formula: C10H12N4OS
  • H donors: 2 H acceptors: 2 LogP: 2.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1n[nH]c(n1)SCCOc1ccccc1
  • InChi: 1S/C10H12N4OS/c11-9-12-10(14-13-9)16-7-6-15-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14)
  • InChiKey: QBYLTEXOLMYYGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[2-(phenoxy)ethylthio]-2H-1,2,4-triazol-3-amine
  • [5-[2-(phenoxy)ethylthio]-2H-1,2,4-triazol-3-yl]amine
  • MLS000058590
  • SMR000068263
  • T5339424

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Brugia malayi Thioredoxin reductase 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 congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase 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
Plasmodium berghei glutathione 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 similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase 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 knowlesi glutathione 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
Loa Loa (eye worm) 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
Plasmodium yoelii glutathione 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
Trypanosoma brucei trypanothione 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, 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 berghei thioredoxin reductase, putative 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Echinococcus granulosus thioredoxin glutathione 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
Toxoplasma gondii thioredoxin 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
Brugia malayi glutathione 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
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania major 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 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
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 cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin F (C01 family) 0.0216 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0216 1 1
Leishmania major cathepsin L-like protease 0.0216 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0111 0.3413 0.3413
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0145 0.5509 0.5509
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4594 0.8342
Brugia malayi Papain family cysteine protease containing protein 0.0216 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0216 1 1
Leishmania major cathepsin L-like protease 0.0216 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4594 0.8342
Loa Loa (eye worm) hypothetical protein 0.0145 0.5509 0.5509
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Leishmania major cathepsin L-like protease 0.0216 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.3413 0.3413
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Leishmania major cathepsin L-like protease 0.0216 1 1
Plasmodium vivax vivapain-2 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4594 0.8342
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0216 1 1
Brugia malayi Cathepsin L-like precursor 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Plasmodium vivax unspecified product 0.0111 0.3413 0.3413
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Plasmodium vivax vivapain-3 0.0111 0.3413 0.3413
Trypanosoma cruzi cysteine peptidase, putative 0.0216 1 1
Onchocerca volvulus 0.0216 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0072 0.0905 0.0905
Echinococcus multilocularis cysteine protease 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.5509 0.5509
Echinococcus granulosus cysteine protease 0.0111 0.3413 0.3413
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.5507 1
Toxoplasma gondii cathepsin CPL 0.0216 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.0905 0.0905
Brugia malayi Papain family cysteine protease containing protein 0.0111 0.3413 0.3413
Brugia malayi Cathepsin L-like precursor 0.0145 0.5509 0.5509
Loa Loa (eye worm) ctsf protein 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0111 0.3413 0.3413
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Brugia malayi Cathepsin L-like precursor 0.0216 1 1
Onchocerca volvulus Cathepsin L homolog 0.0216 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Brugia malayi Cathepsin L-like precursor 0.0216 1 1
Echinococcus multilocularis cathepsin L 0.0111 0.3413 0.3413
Brugia malayi Cathepsin L-like precursor 0.0072 0.0905 0.0905
Leishmania major cathepsin L-like protease 0.0216 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.3413 0.3413
Echinococcus granulosus cathepsin l1 0.0216 1 1
Brugia malayi Cathepsin L-like precursor 0.0145 0.5509 0.5509
Echinococcus multilocularis cathepsin L cysteine protease 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0145 0.5509 0.5061
Onchocerca volvulus Cathepsin F homolog 0.0216 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.5509 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Leishmania major cathepsin L-like protease 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0905 0.0905
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0216 1 1
Brugia malayi cathepsin L-like precursor 0.0145 0.5509 0.5509
Plasmodium vivax unspecified product 0.0072 0.0905 0.0905
Echinococcus granulosus cathepsin l cysteine peptidase 0.0216 1 1
Echinococcus granulosus cathepsin L cysteine protease 0.0111 0.3413 0.3413
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.5507 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0216 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0216 1 1
Onchocerca volvulus 0.0216 1 1
Leishmania major cathepsin L-like protease 0.0216 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0216 1 1
Leishmania major cysteine peptidase A (CPA) 0.0216 1 1
Echinococcus granulosus cathepsin L 0.0111 0.3413 0.3413
Entamoeba histolytica cysteine proteinase, putative 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.5509 0.5509
Trypanosoma cruzi cysteine protease, putative 0.0111 0.3413 0.3413
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Onchocerca volvulus 0.0216 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Onchocerca volvulus 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Plasmodium vivax vivapain-1 0.0111 0.3413 0.3413
Onchocerca volvulus 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0111 0.3413 0.3413
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0216 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0145 0.5509 0.5509
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0111 0.3413 0.2757
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0216 1 1
Echinococcus granulosus cathepsin l1 0.0145 0.5509 0.5509
Entamoeba histolytica cysteine protease, putative 0.0216 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.5507 1
Loa Loa (eye worm) hypothetical protein 0.0216 1 1
Brugia malayi Cathepsin L-like precursor 0.0216 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0216 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4594 0.8342
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0072 0.0905 0.0905
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0072 0.0905 0.0905
Plasmodium falciparum cysteine proteinase falcipain 3 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0905 0.0905
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Echinococcus multilocularis cysteine protease 0.0216 1 1
Mycobacterium tuberculosis Probable reductase 0.013 0.4594 0.8342
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0111 0.3413 0.3413
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4594 0.8342
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0216 1 1
Onchocerca volvulus 0.0216 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0111 0.3413 0.3413
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.5507 1
Entamoeba histolytica cysteine proteinase, putative 0.0145 0.5509 0.3182
Schistosoma mansoni cathepsin F (C01 family) 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0905 0.0905
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Brugia malayi Cathepsin L-like precursor 0.0216 1 1
Loa Loa (eye worm) fibroinase 0.0216 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0111 0.3413 0.2757
Plasmodium vivax vivapain-2 0.0216 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0072 0.0905 0.0905
Onchocerca volvulus 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Leishmania major cathepsin L-like protease 0.0216 1 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0111 0.3413 0.3413
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0216 1 1
Onchocerca volvulus Cathepsin L homolog 0.0216 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0111 0.3413 0.2757
Loa Loa (eye worm) cysteine protease 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.5509 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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) = 44.6684 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
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

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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