Detailed information for compound 421433

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.923 | Formula: C8H3Br2NO2
  • H donors: 1 H acceptors: 2 LogP: 2.1 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2c(C1=O)cc(c(c2)Br)Br
  • InChi: 1S/C8H3Br2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
  • InChiKey: BHIYOAMJNNOSLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0018 0.0475 0.3513
Echinococcus multilocularis rac serine:threonine kinase 0.0024 0.093 0.1048
Loa Loa (eye worm) fibroinase 0.0018 0.0475 0.0525
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0475 0.1892
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0022 0.0775 0.0797
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0045
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2508 0.2803
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0033 0.1564 0.1776
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.4025 0.4559
Leishmania major cathepsin L-like protease 0.0068 0.4025 0.4559
Echinococcus multilocularis glutamate synthase 0.0012 0.0086 0.0079
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0475 0.1892
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0012 0.0086 0.0079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0012 0.0086 0.0079
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0022 0.0775 0.087
Leishmania major cathepsin L-like protease 0.0018 0.0475 0.0449
Trichomonas vaginalis apoptosis inducing factor, putative 0.0012 0.0086 0.0344
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Toxoplasma gondii NADPH-glutathione reductase 0.0047 0.2508 0.2803
Brugia malayi Protein kinase domain containing protein 0.0036 0.1719 0.1954
Echinococcus multilocularis thioredoxin glutathione reductase 0.0135 0.8726 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2508 0.2803
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Brugia malayi glutathione reductase 0.0135 0.8726 1
Schistosoma mansoni lamin 0.0029 0.1246 0.1411
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.2508 0.2803
Echinococcus multilocularis cysteine protease 0.0018 0.0475 0.0525
Echinococcus multilocularis nervana 2 0.0022 0.0758 0.085
Trichomonas vaginalis mercuric reductase, putative 0.0047 0.2508 1
Entamoeba histolytica protein kinase, putative 0.0033 0.1564 0.909
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0079
Schistosoma mansoni intermediate filament proteins 0.0029 0.1246 0.1411
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0193 0.0202
Echinococcus granulosus cathepsin l1 0.0012 0.0057 0.0045
Trypanosoma brucei rac serine-threonine kinase, putative 0.0036 0.1719 0.189
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0012 0.0086 0.0079
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0475 0.0525
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.2508 0.2803
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0012 0.0086 0.0404
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0022 0.0775 0.0695
Onchocerca volvulus 0.0018 0.0475 0.3513
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.4025 0.4559
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0022 0.0775 0.087
Plasmodium falciparum thioredoxin reductase 0.0047 0.2508 0.2443
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0047 0.2508 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.2508 0.2803
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1719 0.6853
Onchocerca volvulus Cathepsin F homolog 0.0018 0.0475 0.3513
Schistosoma mansoni serine/threonine-protein kinase 0.0024 0.093 0.1048
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.0086 0.0344
Brugia malayi Cathepsin L-like precursor 0.0012 0.0057 0.0045
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0475 0.0525
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0047 0.2508 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0047 0.2508 0.2605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0057 0.0226
Loa Loa (eye worm) intermediate filament protein 0.0029 0.1246 0.1411
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Onchocerca volvulus 0.0018 0.0475 0.3513
Plasmodium falciparum thioredoxin reductase 0.0135 0.8726 0.8715
Trypanosoma cruzi cruzipain precursor, putative 0.0068 0.4025 0.4559
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.0086 0.0079
Echinococcus multilocularis lamin 0.0029 0.1246 0.1411
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0022 0.0758 0.085
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0475 0.0525
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0475 0.0525
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0047 0.2508 0.2803
Entamoeba histolytica protein kinase, putative 0.0036 0.1719 1
Brugia malayi Cathepsin L-like precursor 0.0012 0.0057 0.0045
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1719 0.6853
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.2508 0.2803
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1719 0.6853
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Entamoeba histolytica disulphide oxidoreductase, putative 0.0012 0.0086 0.0404
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1719 0.6853
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Plasmodium vivax vivapain-2 0.0018 0.0475 0.0392
Leishmania major trypanothione reductase 0.0135 0.8726 1
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0012 0.0086 0.0079
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 0.0069
Schistosoma mansoni serine/threonine-protein kinase 0.0024 0.093 0.1048
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0047 0.2508 0.2605
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0047 0.2508 0.286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2508 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0047 0.2508 0.2803
Entamoeba histolytica PH domain containing protein kinase, putative 0.0024 0.093 0.5363
Brugia malayi Cathepsin L-like precursor 0.0018 0.0475 0.0525
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Echinococcus granulosus cathepsin l1 0.0018 0.0475 0.0525
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0301 0.0326
Mycobacterium ulcerans mycolic acid synthase UmaA 0.0144 0.9384 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.0086 0.0344
Leishmania major cathepsin L-like protease 0.0068 0.4025 0.4559
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.0086 0.0079
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.2995 0.3366
Toxoplasma gondii AGC kinase 0.0033 0.1564 0.1711
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0057 0.0045
Schistosoma mansoni glutamate synthase 0.0012 0.0086 0.0079
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0047 0.2508 0.286
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0047 0.2508 0.2803
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0022 0.0775 0.0695
Echinococcus granulosus nervana 2 0.0022 0.0758 0.085
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0475 0.3513
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0012 0.0086 0.0079
Plasmodium falciparum glutathione reductase 0.0047 0.2508 0.2443
Giardia lamblia Kinase, AGC PKA 0.0022 0.0775 0.2845
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0047 0.2508 0.2443
Onchocerca volvulus 0.0018 0.0475 0.3513
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0034 0.1633 0.1855
Plasmodium vivax vivapain-2 0.0018 0.0475 0.0392
Echinococcus multilocularis Glutaredoxin protein 5 0.0022 0.0758 0.085
Loa Loa (eye worm) hypothetical protein 0.0013 0.0156 0.0159
Schistosoma mansoni sulfide quinone reductase 0.0012 0.0086 0.0079
Brugia malayi intermediate filament protein 0.0029 0.1246 0.1411
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0135 0.8726 0.9292
Leishmania major cathepsin L-like protease 0.0018 0.0475 0.0449
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1719 0.6853
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0475 0.0525
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0012 0.0086 0.0404
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2508 0.2803
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.0086 0.0344
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0024 0.093 0.0977
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0086 0.0344
Echinococcus multilocularis nervana 2 0.0022 0.0758 0.085
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0047 0.2508 0.2605
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.0086 0.0344
Mycobacterium tuberculosis Possible methyltransferase (methylase) 0.0144 0.9384 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.0086 0.0079
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0475 0.0525
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0475 0.0392
Schistosoma mansoni glutamate synthase 0.0012 0.0086 0.0079
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.1246 0.1411
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0047 0.2508 0.286
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1719 0.6853
Brugia malayi Cathepsin L-like precursor 0.0018 0.0475 0.0525
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0193 0.0202
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0012 0.0086 0.0079
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 0.0069
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.2508 1
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0012 0.0086 0.0079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Toxoplasma gondii thioredoxin reductase 0.0135 0.8726 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0086 0.0344
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0475 0.0449
Trypanosoma brucei trypanothione reductase 0.0135 0.8726 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0301 0.0326
Leishmania major cathepsin L-like protease 0.0018 0.0475 0.0449
Onchocerca volvulus 0.0029 0.1246 1
Echinococcus multilocularis lamin dm0 0.0029 0.1246 0.1411
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0012 0.0086 0.0404
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Plasmodium vivax glutathione reductase, putative 0.0135 0.8726 0.8715
Onchocerca volvulus 0.0018 0.0475 0.3513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0012 0.0086 0.0344
Loa Loa (eye worm) hypothetical protein 0.0029 0.1246 0.1411
Echinococcus multilocularis musashi 0.0029 0.1246 0.1411
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0012 0.0086 0.0079
Leishmania major cathepsin L-like protease 0.0018 0.0475 0.0449
Brugia malayi p70 ribosomal S6 kinase beta 0.0033 0.1564 0.1776
Brugia malayi Thioredoxin reductase 0.0135 0.8726 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.1246 0.1411
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0475 0.0392
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0047 0.2508 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0475 0.2686
Onchocerca volvulus 0.0018 0.0475 0.3513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0047 0.2508 0.2443
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0012 0.0086 0.0344
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Echinococcus granulosus intermediate filament protein 0.0029 0.1246 0.1411
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0012 0.0086 0.0404
Schistosoma mansoni glutamate synthase 0.0012 0.0086 0.0079
Onchocerca volvulus 0.0012 0.0086 0.0247
Plasmodium falciparum glutathione reductase 0.0135 0.8726 0.8715
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.0086 0.0079
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0012 0.0086 0.0079
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0475 0.2686
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0475 0.0525
Loa Loa (eye worm) hypothetical protein 0.0028 0.1209 0.1368
Giardia lamblia NADH oxidase lateral transfer candidate 0.0047 0.2508 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0045
Brugia malayi Cathepsin L-like precursor 0.0018 0.0475 0.0525
Treponema pallidum NADH oxidase 0.0047 0.2508 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0022 0.0775 0.087
Mycobacterium ulcerans methyltransferase 0.0144 0.9384 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0475 0.0525
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.2508 0.2803
Entamoeba histolytica protein kinase 2, putative 0.0022 0.0775 0.4453
Plasmodium vivax phosphoethanolamine N-methyltransferase 0.0153 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Leishmania major cathepsin L-like protease 0.0068 0.4025 0.4559
Trypanosoma cruzi Protein kinase B 0.0024 0.093 0.0977
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0057 0.0232
Trichomonas vaginalis AGC family protein kinase 0.0036 0.1719 0.6853
Loa Loa (eye worm) AGC/AKT protein kinase 0.0036 0.1719 0.1954
Echinococcus granulosus Glutaredoxin protein 5 0.0022 0.0758 0.085
Schistosoma mansoni lamin 0.0029 0.1246 0.1411
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.2508 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Loa Loa (eye worm) programmed cell death 8 0.0012 0.0086 0.0079
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.2508 0.2803
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0172 0.0687
Loa Loa (eye worm) thioredoxin reductase 0.0135 0.8726 1
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.4025 0.4559
Echinococcus granulosus thioredoxin glutathione reductase 0.0135 0.8726 1
Echinococcus granulosus glutamate synthase 0.0012 0.0086 0.0079
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0475 0.3513
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0475 0.0392
Plasmodium vivax thioredoxin reductase, putative 0.0135 0.8726 0.8715
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0475 0.0449
Echinococcus multilocularis cysteine protease 0.0018 0.0475 0.0525
Brugia malayi Cathepsin L-like precursor 0.0018 0.0475 0.0525
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0047 0.2508 0.2605
Brugia malayi cathepsin L-like precursor 0.0012 0.0057 0.0045
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0475 0.1892
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0047 0.2508 0.2803
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0045
Entamoeba histolytica protein kinase, putative 0.0036 0.1719 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2508 0.2803
Schistosoma mansoni sulfide quinone reductase 0.0012 0.0086 0.0079
Brugia malayi Cathepsin L-like precursor 0.0018 0.0475 0.0525
Loa Loa (eye worm) ctsf protein 0.0018 0.0475 0.0525
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0047 0.2508 0.286
Leishmania major cathepsin L-like protease 0.0018 0.0475 0.0449
Entamoeba histolytica cysteine protease, putative 0.0018 0.0475 0.2686
Loa Loa (eye worm) glutathione reductase 0.0135 0.8726 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2508 0.2803
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0047 0.2508 0.2605
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0086 0.0344
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.2508 0.2803
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0012 0.0086 0.0079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0057 0.0226
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0086 0.0344
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.3607 0.4075
Brugia malayi glutamate synthase 0.0012 0.0086 0.0079
Brugia malayi Cathepsin L-like precursor 0.0018 0.0475 0.0525
Mycobacterium tuberculosis Possible mycolic acid synthase UmaA 0.0144 0.9384 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0475 0.0525
Echinococcus granulosus nervana 2 0.0022 0.0758 0.085
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0086 0.0344
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0047 0.2508 0.2605
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0086 0.0344
Loa Loa (eye worm) hypothetical protein 0.0018 0.0475 0.0525
Onchocerca volvulus 0.0018 0.0475 0.3513
Schistosoma mansoni hypothetical protein 0.0012 0.0086 0.0079
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0047 0.2508 0.2605
Trichomonas vaginalis glutathione reductase, putative 0.0047 0.2508 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0012 0.0086 0.0079
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0475 0.0525
Onchocerca volvulus 0.0029 0.1246 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.4025 0.4559
Entamoeba histolytica PH domain containing protein kinase, putative 0.0024 0.093 0.5363
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0475 0.0525
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0057 0.0045
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0047 0.2508 0.2443
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0012 0.0086 0.0404
Toxoplasma gondii cathepsin CPL 0.0018 0.0475 0.0449
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0012 0.0086 0.0079
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0022 0.0758 0.085
Schistosoma mansoni disulfide oxidoreductase 0.0012 0.0086 0.0079
Entamoeba histolytica thioredoxin reductase, putative 0.0012 0.0086 0.0404
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0017 0.0069
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0047 0.2508 0.2443
Loa Loa (eye worm) hypothetical protein 0.0013 0.0156 0.0159
Loa Loa (eye worm) cysteine protease 0.0018 0.0475 0.0525
Loa Loa (eye worm) hypothetical protein 0.0014 0.0193 0.0202
Echinococcus granulosus lamin 0.0029 0.1246 0.1411
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0475 0.1892
Echinococcus granulosus lamin dm0 0.0029 0.1246 0.1411
Trypanosoma cruzi trypanothione reductase, putative 0.0135 0.8726 1
Echinococcus granulosus serine/threonine protein kinase 0.0024 0.093 0.1048
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0034 0.1633 0.1855

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.94 Anticancer activity against human U937 cells by MTS assay ChEMBL. 20056518
IC50 (ADMET) = 11.6 uM Cytotoxicity against human U937 cells ChEMBL. 17088067
IC50 (ADMET) = 11.6 uM Cytotoxicity against human U937 cells ChEMBL. 17088067
IC50 (ADMET) = 20.2 uM Cytotoxicity against human Jurkat cells ChEMBL. 17088067
IC50 (ADMET) = 20.2 uM Cytotoxicity against human MCF7 cells ChEMBL. 17088067
IC50 (ADMET) = 20.2 uM Cytotoxicity against human Jurkat cells ChEMBL. 17088067
IC50 (ADMET) = 20.2 uM Cytotoxicity against human MCF7 cells ChEMBL. 17088067
IC50 (ADMET) = 37.3 uM Cytotoxicity against human HCT116 cells ChEMBL. 17088067
IC50 (ADMET) = 37.3 uM Cytotoxicity against human HCT116 cells ChEMBL. 17088067
IC50 (ADMET) = 41 uM Cytotoxicity against human PC3 cells ChEMBL. 17088067
IC50 (ADMET) = 41 uM Cytotoxicity against human PC3 cells ChEMBL. 17088067
IC50 (ADMET) = 41.7 uM Cytotoxicity against human MDA-MB-231 cells ChEMBL. 17088067
IC50 (ADMET) = 41.7 uM Cytotoxicity against human MDA-MB-231 cells ChEMBL. 17088067

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17088067

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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