Detailed information for compound 1450980

Basic information

Technical information
  • TDR Targets ID: 1450980
  • Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-furan- 2-ylprop-2-en-1-one
  • MW: 300.327 | Formula: C17H17FN2O2
  • H donors: 0 H acceptors: 1 LogP: 2.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)/C=C/c1ccco1
  • InChi: 1S/C17H17FN2O2/c18-14-3-5-15(6-4-14)19-9-11-20(12-10-19)17(21)8-7-16-2-1-13-22-16/h1-8,13H,9-12H2/b8-7+
  • InChiKey: CKQKMOZJHLVZCX-BQYQJAHWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-furan-2-ylprop-2-en-1-one
  • (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-furyl)prop-2-en-1-one
  • 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-furyl)prop-2-en-1-one
  • (E)-1-[4-(4-fluorophenyl)-1-piperazinyl]-3-(2-furyl)prop-2-en-1-one
  • 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-(2-furyl)prop-2-en-1-one
  • (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-furan-2-yl-prop-2-en-1-one
  • 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-furan-2-yl-prop-2-en-1-one
  • ZINC00199105
  • (E)-1-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-3-furan-2-yl-propenone
  • MLS000767588
  • SMR000429918
  • STK084885
  • AK-968/11842253
  • BIM-0028744.P001
  • CBMicro_028784

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 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
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium knowlesi thioredoxin 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Babesia bovis thiodoxin reductase, putative 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
Leishmania infantum trypanothione 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
Echinococcus multilocularis thioredoxin 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax glutathione 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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum Glutathione reductase, related 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum hypothetical protein 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
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin 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
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi 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
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium vivax histone acetyltransferase GCN5, 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium vivax thioredoxin 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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium falciparum thioredoxin 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
Plasmodium berghei histone acetyltransferase GCN5, putative 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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 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
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 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
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Trypanosoma congolense trypanothione reductase, putative 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 cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus histone acetyltransferase KAT2B 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0428 0.3893
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0675 0.8066 0.9192
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0459 0.4195
Echinococcus multilocularis Smad4 0.0025 0.0137 0.0113
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0459 0.0436
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1244 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0675 0.8066 0.9192
Plasmodium vivax glutathione reductase, putative 0.0046 0.0388 0.3513
Echinococcus granulosus Smad4 0.0025 0.0137 0.0113
Loa Loa (eye worm) latrophilin receptor protein 2 0.0214 0.2436 0.2777
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0214 0.2436 0.2777
Schistosoma mansoni hypothetical protein 0.0214 0.2436 0.2418
Brugia malayi hypothetical protein 0.0101 0.1061 0.1209
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0045 0.0382 0.0359
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0175 0.1241
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0428 0.0405
Brugia malayi N-terminal motif family protein 0.0193 0.2185 0.249
Loa Loa (eye worm) RNA binding protein 0.0733 0.8775 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1244 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0214 0.2436 0.2418
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0407 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0101 0.1061 1
Schistosoma mansoni tar DNA-binding protein 0.0733 0.8775 0.8772
Echinococcus multilocularis smad 0.0025 0.0137 0.0113
Brugia malayi Smad1 0.0025 0.0137 0.0156
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.0428 0.0405
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0137 0.0113
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.0428 0.3893
Loa Loa (eye worm) acetyltransferase 0.0175 0.1967 0.2241
Brugia malayi glutathione reductase 0.0046 0.0388 0.0442
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0175 0.146
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0396 0.0373
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1967 0.1947
Brugia malayi Latrophilin receptor protein 2 0.0214 0.2436 0.2777
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0388 0.0442
Brugia malayi isocitrate dehydrogenase 0.0049 0.0428 0.0487
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0045 0.0382 0.0359
Loa Loa (eye worm) hypothetical protein 0.0193 0.2185 0.249
Brugia malayi hypothetical protein 0.0148 0.1639 0.1868
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0459 0.4195
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0175 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0428 0.0405
Brugia malayi MH1 domain containing protein 0.0025 0.0137 0.0156
Trypanosoma cruzi PAB1-binding protein , putative 0.0101 0.1061 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0459 0.4195
Schistosoma mansoni hypothetical protein 0.0045 0.0382 0.0359
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0407 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0214 0.2436 0.2418
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0428 0.3893
Brugia malayi MH2 domain containing protein 0.0368 0.4322 0.4926
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0049 0.0428 0.3893
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1244 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0101 0.1061 1
Onchocerca volvulus 0.0148 0.1639 0.5167
Trypanosoma brucei trypanothione reductase 0.0046 0.0388 0.3513
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0137 0.0113
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0137 0.0156
Echinococcus granulosus tar DNA binding protein 0.0733 0.8775 0.8772
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0733 0.8775 1
Schistosoma mansoni smad 0.0025 0.0137 0.0113
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.1056 0.1203
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.1056 0.1035
Schistosoma mansoni tar DNA-binding protein 0.0733 0.8775 0.8772
Echinococcus granulosus smad 0.0025 0.0137 0.0113
Loa Loa (eye worm) Smad1 0.0025 0.0137 0.0156
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0214 0.2436 0.2418
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.1056 0.1035
Schistosoma mansoni hypothetical protein 0.0214 0.2436 0.2418
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.1056 0.1035
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0175 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0368 0.4322 0.4926
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0175 0.146
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0428 0.3893
Schistosoma mansoni Smad4 0.0025 0.0137 0.0113
Schistosoma mansoni tar DNA-binding protein 0.0733 0.8775 0.8772
Loa Loa (eye worm) hypothetical protein 0.0214 0.2436 0.2777
Schistosoma mansoni smad1 5 8 and 0.0025 0.0137 0.0113
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1102 0.8837
Loa Loa (eye worm) hypothetical protein 0.0101 0.1061 0.1209
Loa Loa (eye worm) hypothetical protein 0.0148 0.1639 0.1868
Trypanosoma brucei PAB1-binding protein , putative 0.0101 0.1061 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1967 0.1947
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1102 0.8837
Schistosoma mansoni smad1 5 8 and 0.0025 0.0137 0.0113
Brugia malayi Thioredoxin reductase 0.0046 0.0388 0.0442
Schistosoma mansoni tar DNA-binding protein 0.0733 0.8775 0.8772
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0193 0.2185 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0137 0.0113
Loa Loa (eye worm) transcription factor SMAD2 0.0368 0.4322 0.4926
Schistosoma mansoni hypothetical protein 0.0214 0.2436 0.2418
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.0428 0.3893
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0407 0.369
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1102 0.8837
Schistosoma mansoni hypothetical protein 0.0461 0.546 0.5449
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0137 0.0113
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.0428 0.0405
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0137 0.0156
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.0428 0.0405
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0175 0.146
Brugia malayi latrophilin 2 splice variant baaae 0.0461 0.546 0.6223
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.0428 0.3893
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0388 0.3513
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0428 0.3893
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0137 0.0113
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0175 0.146
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0049 0.0428 0.3308
Mycobacterium tuberculosis Probable reductase 0.0104 0.1102 0.8837
Loa Loa (eye worm) TAR-binding protein 0.0733 0.8775 1
Plasmodium falciparum glutathione reductase 0.0046 0.0388 0.3513
Schistosoma mansoni tar DNA-binding protein 0.0733 0.8775 0.8772
Brugia malayi TAR-binding protein 0.0733 0.8775 1
Echinococcus multilocularis GPCR, family 2 0.0214 0.2436 0.2418
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.0428 0.0405
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0428 0.0405
Plasmodium vivax ataxin-2 like protein, putative 0.0101 0.1061 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0175 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0137 0.0113
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1102 0.8672
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0175 0.146
Loa Loa (eye worm) hypothetical protein 0.0461 0.546 0.6223
Leishmania major trypanothione reductase 0.0046 0.0388 0.3513
Echinococcus multilocularis tar DNA binding protein 0.0733 0.8775 0.8772
Loa Loa (eye worm) glutathione reductase 0.0046 0.0388 0.0442
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1244 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.0428 0.0487
Brugia malayi RNA recognition motif domain containing protein 0.0733 0.8775 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0396 0.0373
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1967 0.2241
Plasmodium falciparum thioredoxin reductase 0.0046 0.0388 0.3513
Brugia malayi MH2 domain containing protein 0.0025 0.0137 0.0156
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1102 0.8837
Echinococcus granulosus GPCR family 2 0.0214 0.2436 0.2418
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0459 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0175 1
Brugia malayi Isocitrate dehydrogenase 0.0049 0.0428 0.0487
Brugia malayi MH1 domain containing protein 0.0025 0.0137 0.0156
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0214 0.2436 0.2418
Loa Loa (eye worm) hypothetical protein 0.0675 0.8066 0.9192
Loa Loa (eye worm) hypothetical protein 0.01 0.1056 0.1203
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1102 0.8837
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0175 0.146
Brugia malayi MH2 domain containing protein 0.0025 0.0137 0.0156
Brugia malayi hypothetical protein 0.0065 0.0625 0.0712
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0388 0.3513
Toxoplasma gondii thioredoxin reductase 0.0046 0.0388 0.3513
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0459 1
Schistosoma mansoni hypothetical protein 0.0214 0.2436 0.2418
Toxoplasma gondii LsmAD domain-containing protein 0.0101 0.1061 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0388 0.2985
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0428 0.3893
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1907 0.1887
Leishmania major hypothetical protein, conserved 0.0101 0.1061 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0024 0.0027
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0175 1
Brugia malayi RNA binding protein 0.0733 0.8775 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0101 0.1061 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0675 0.8066 0.9192

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 9.285 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) = 10 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) 11.6891 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) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 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

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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