Detailed information for compound 1421750

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.373 | Formula: C18H20F2N4O3
  • H donors: 1 H acceptors: 3 LogP: 0.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCN(C1CC(=O)N(Cc1nocc1)C)Cc1cccc(c1F)F
  • InChi: 1S/C18H20F2N4O3/c1-23(11-13-5-8-27-22-13)16(25)9-15-18(26)21-6-7-24(15)10-12-3-2-4-14(19)17(12)20/h2-5,8,15H,6-7,9-11H2,1H3,(H,21,26)
  • InChiKey: QWNKOCNAJBCRSW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin 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
Trypanosoma brucei 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
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
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei gambiense 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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania donovani 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis thioredoxin 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 infantum 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
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
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 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
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 22.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
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 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
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 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.5545 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1375 0.4264
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0084 0.3225 0.4139
Loa Loa (eye worm) hypothetical protein 0.0069 0.2485 0.2261
Treponema pallidum NADH oxidase 0.002 0 0.5
Plasmodium vivax glutathione reductase, putative 0.0057 0.1873 0.5807
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.6275 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.6275 1
Brugia malayi glutathione reductase 0.0057 0.1873 0.1873
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0219 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.159 0.4931
Brugia malayi hypothetical protein 0.0026 0.0289 0.0289
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.7793 0.7793
Echinococcus multilocularis GPCR, family 2 0.0069 0.2485 0.3189
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.2485 0.305
Brugia malayi Latrophilin receptor protein 2 0.0069 0.2485 0.2485
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0084 0.3225 0.4274
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0069 0.2485 0.3189
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0084 0.3225 0.3958
Mycobacterium tuberculosis Probable reductase 0.013 0.5545 0.8837
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.159 0.2108
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.7793 0.9564
Loa Loa (eye worm) isocitrate dehydrogenase 0.0084 0.3225 0.3024
Schistosoma mansoni hypothetical protein 0.015 0.6522 0.8004
Brugia malayi isocitrate dehydrogenase 0.0084 0.3225 0.3225
Loa Loa (eye worm) glutathione reductase 0.0057 0.1873 0.1631
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1873 0.2482
Plasmodium falciparum glutathione reductase 0.0057 0.1873 0.5807
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1873 0.2985
Toxoplasma gondii thioredoxin reductase 0.0057 0.1873 0.5807
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.159 0.4931
Loa Loa (eye worm) hypothetical protein 0.015 0.6522 0.6418
Brugia malayi Calcitonin receptor-like protein seb-1 0.0219 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0084 0.3225 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0289 0.0896
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.3225 0.4139
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.6275 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.5545 0.8837
Schistosoma mansoni hypothetical protein 0.0069 0.2485 0.305
Brugia malayi Thioredoxin reductase 0.0057 0.1873 0.1873
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1873 0.5807
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0289 0.0896
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0289 0.0896
Echinococcus granulosus GPCR family 2 0.0069 0.2485 0.3293
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0084 0.3225 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.5545 0.8837
Loa Loa (eye worm) acetyltransferase 0.0175 0.7793 0.7727
Echinococcus multilocularis isocitrate dehydrogenase 0.0084 0.3225 0.4139
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.6275 1
Schistosoma mansoni hypothetical protein 0.0069 0.2485 0.305
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0084 0.3225 1
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.3225 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0289 0.0896
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.3225 1
Trypanosoma brucei trypanothione reductase 0.0057 0.1873 0.5807
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1873 0.2404
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.159 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.7546 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0084 0.3225 0.514
Schistosoma mansoni hypothetical protein 0.0069 0.2485 0.305
Brugia malayi latrophilin 2 splice variant baaae 0.015 0.6522 0.6522
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.7793 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0069 0.2485 0.3293
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.3225 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.159 0.4931
Leishmania major hypothetical protein, conserved 0.0026 0.0289 0.0896
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.159 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0069 0.2485 0.3189
Plasmodium falciparum thioredoxin reductase 0.0057 0.1873 0.5807
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0289 0.0896
Loa Loa (eye worm) latrophilin receptor protein 2 0.0069 0.2485 0.2261
Brugia malayi Isocitrate dehydrogenase 0.0084 0.3225 0.3225
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1873 0.5807
Loa Loa (eye worm) hypothetical protein 0.0219 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0289 0.0896
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0069 0.2485 0.2485
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.5545 0.8837
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.3225 0.4139
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1873 0.1631
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0069 0.2485 0.3293
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.3225 0.4139
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1375 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.3225 1
Leishmania major trypanothione reductase 0.0057 0.1873 0.5807
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0289 0.0896
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.3225 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0084 0.3225 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1375 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.5545 0.8837

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 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) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 14.1254 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) 18.526 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) = 44.6684 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) 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

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.