Detailed information for compound 1408246

Basic information

Technical information
  • TDR Targets ID: 1408246
  • Name: (E)-3-(5-methylfuran-2-yl)-1-[4-[(E)-2-phenyl ethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-on e
  • MW: 386.465 | Formula: C20H22N2O4S
  • H donors: 0 H acceptors: 3 LogP: 2.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(o1)/C=C/C(=O)N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
  • InChi: 1S/C20H22N2O4S/c1-17-7-8-19(26-17)9-10-20(23)21-12-14-22(15-13-21)27(24,25)16-11-18-5-3-2-4-6-18/h2-11,16H,12-15H2,1H3/b10-9+,16-11+
  • InChiKey: MIIQZOFJMUKKOE-AKYRVGECSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-(5-methyl-2-furyl)-1-[4-[(E)-2-phenylvinyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
  • (E)-3-(5-methyl-2-furyl)-1-[4-[(E)-2-phenylvinyl]sulfonyl-1-piperazinyl]prop-2-en-1-one
  • T5322872
  • MLS000760582
  • SMR000369850

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens core-binding factor, beta subunit No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Thioredoxin 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 MGC84926 protein, related 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 major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii glutathione 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
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Glutathione reductase, related 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
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva thioredoxin reductase, putative 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
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii thioredoxin reductase 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:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum glutathione reductase 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
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii thioredoxin 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 mexicana trypanothione 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 glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense trypanothione 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
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
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
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
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 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni chromobox protein 0.0071 0.0497 0.0497
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0505 0.0505
Trichomonas vaginalis CAMK family protein kinase 0.0296 0.2708 0.2653
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0151 0.0151
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0219 0.0145
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0052 0.0306 0.0743
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0346 0.3191 0.314
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0052 0.0306 0.0743
Trichomonas vaginalis glutathione reductase, putative 0.0067 0.0457 0.0385
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0459 0.4307 0.4307
Loa Loa (eye worm) hypothetical protein 0.0459 0.4307 0.4265
Mycobacterium tuberculosis Probable oxidoreductase 0.0492 0.4629 1
Schistosoma mansoni glutaminase 0.0267 0.2418 0.2418
Echinococcus granulosus jumonji domain containing protein 0.004 0.0186 0.0186
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0067 0.0457 0.1229
Trypanosoma cruzi polo-like protein kinase, putative 0.0296 0.2708 0.2564
Loa Loa (eye worm) glutathione reductase 0.0194 0.1702 0.1642
Onchocerca volvulus 0.0031 0.0105 0.0057
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0067 0.0457 0.1433
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0459 0.4307 0.4307
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0077 0.0004
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0346 0.3191 0.314
Onchocerca volvulus Serine\/threonine kinase homolog 0.0296 0.2708 0.5292
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0219 0.0287
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0229 0.2049 0.2049
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0192 0.0118
Trichomonas vaginalis mercuric reductase, putative 0.0067 0.0457 0.0385
Brugia malayi chromobox protein homolog 3 0.004 0.0189 0.0114
Loa Loa (eye worm) thioredoxin reductase 0.0194 0.1702 0.1642
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0443 0.4144 0.8935
Mycobacterium ulcerans hypothetical protein 0.0052 0.0306 0.0743
Schistosoma mansoni chromatin regulatory protein sir2 0.0346 0.3191 0.3191
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.0457 0.027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0457 0.027
Loa Loa (eye worm) hypothetical protein 0.0036 0.0151 0.0079
Brugia malayi jmjC domain containing protein 0.0034 0.0135 0.0059
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0067 0.0457 0.0841
Chlamydia trachomatis pyruvate kinase 0.004 0.0192 0.3087
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0135 0.0135
Schistosoma mansoni lozenge 0.0067 0.0456 0.0456
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0346 0.3191 0.314
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.0457 0.0386
Echinococcus granulosus pyruvate kinase 0.004 0.0192 0.0192
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0346 0.3191 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0189 0.0227
Brugia malayi jmjC domain containing protein 0.0093 0.0712 0.0641
Schistosoma mansoni kinase 0.0151 0.1276 0.1276
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0783 0.0783
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0192 0.0233
Brugia malayi serine/threonine-protein kinase plk-2 0.0296 0.2708 0.2651
Entamoeba histolytica hypothetical protein 0.0028 0.0074 0.0001
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0192 0.0233
Leishmania major trypanothione reductase 0.0194 0.1702 0.164
Loa Loa (eye worm) transcriptional regulator 0.0229 0.2049 0.1991
Brugia malayi glutaminase DH11.1 0.0267 0.2418 0.2359
Trichomonas vaginalis CAMK family protein kinase 0.0296 0.2708 0.2653
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0275 0.0204
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.0505 0.0435
Loa Loa (eye worm) hypothetical protein 0.004 0.0189 0.0117
Loa Loa (eye worm) TAR-binding protein 0.0072 0.0505 0.0435
Brugia malayi Heterochromatin protein 1 0.0071 0.0497 0.0424
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) 0.0116 0.0939 0.1898
Echinococcus multilocularis citrate lyase subunit beta protein 0.0052 0.0306 0.0306
Leishmania major pyruvate kinase 0.004 0.0192 0.0119
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0049 0.0282 0.0207
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0192 0.0603
Plasmodium vivax SET domain protein, putative 0.0036 0.0151 0.0473
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0135 0.0135
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0067 0.0457 0.0384
Mycobacterium tuberculosis Probable dehydrogenase 0.0443 0.4144 0.8935
Plasmodium falciparum pyruvate kinase 0.004 0.0192 0.0603
Loa Loa (eye worm) glutaminase 0.0267 0.2418 0.2362
Toxoplasma gondii histone deacetylase SIR2 0.0346 0.3191 1
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.0505 0.0432
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0459 0.4307 0.4307
Echinococcus granulosus citrate lyase subunit beta protein 0.0052 0.0306 0.0306
Brugia malayi glutathione reductase 0.0194 0.1702 0.1638
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0783 0.0783
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0077 0.024
Trypanosoma brucei hypothetical protein, conserved 0.045 0.4214 0.4171
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0052 0.0306 0.0233
Schistosoma mansoni chromatin regulatory protein sir2 0.0229 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0535 0.5048 0.5012
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0186 0.0186
Trichomonas vaginalis CAMK family protein kinase 0.0296 0.2708 0.2653
Plasmodium vivax hypothetical protein, conserved 0.0229 0.2049 0.6422
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0459 0.4307 0.4264
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0192 0.026
Mycobacterium ulcerans hypothetical protein 0.0052 0.0306 0.0743
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0497 0.0425
Treponema pallidum NADH oxidase 0.0067 0.0457 1
Trichomonas vaginalis glutaminase, putative 0.0267 0.2418 0.2361
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0296 0.2708 0.2708
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0229 0.2049 0.2049
Schistosoma mansoni hypothetical protein 0.0028 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.004 0.0192 0.0121
Trichomonas vaginalis CAMK family protein kinase 0.0147 0.1238 0.1172
Plasmodium falciparum glutathione reductase 0.0194 0.1702 0.5335
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0192 0.0233
Loa Loa (eye worm) RNA binding protein 0.0072 0.0505 0.0435
Trypanosoma cruzi trypanothione reductase, putative 0.0194 0.1702 0.154
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0275 0.02
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0712 0.0712
Plasmodium falciparum thioredoxin reductase 0.0067 0.0457 0.1433
Trichomonas vaginalis CAMK family protein kinase 0.0296 0.2708 0.2653
Trypanosoma brucei polo-like protein kinase 0.0296 0.2708 0.2653
Toxoplasma gondii histone deacetylase SIR2-like 0.0229 0.2049 0.6422
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0074 0.0233
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0505 0.0505
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0296 0.2708 0.2653
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0459 0.4307 0.4264
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0124 0.0048
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0135 0.0063
Echinococcus multilocularis pyruvate kinase 0.004 0.0192 0.0192
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0189 0.0115
Mycobacterium ulcerans glutaminase 0.0267 0.2418 0.7519
Trypanosoma brucei pyruvate kinase 1 0.004 0.0192 0.0119
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0346 0.3191 0.314
Brugia malayi transcriptional regulator, Sir2 family protein 0.0229 0.2049 0.1988
Echinococcus granulosus thioredoxin glutathione reductase 0.0195 0.1708 0.1708
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0074 0.0233
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0457 0.027
Echinococcus granulosus chromobox protein 1 0.0071 0.0497 0.0497
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0074 0.0233
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.0457 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0052 0.0306 0.0115
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0067 0.0457 0.1433
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0067 0.0457 0.0386
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0492 0.4629 1
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0229 0.2049 0.6422
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0783 0.0712
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0505 0.0505
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0443 0.4144 0.8935
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0229 0.2049 0.1989
Loa Loa (eye worm) sirtuin 4 0.0229 0.2049 0.1991
Trichomonas vaginalis CAMK family protein kinase 0.0296 0.2708 0.2653
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0135 0.0135
Brugia malayi RNA binding protein 0.0072 0.0505 0.0432
Loa Loa (eye worm) hypothetical protein 0.0031 0.0105 0.0032
Echinococcus multilocularis pyruvate kinase 0.0032 0.0109 0.0109
Schistosoma mansoni chromatin regulatory protein sir2 0.0229 0.2049 0.2049
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0192 0.0117
Toxoplasma gondii thioredoxin reductase 0.0194 0.1702 0.5335
Echinococcus multilocularis pyruvate kinase 0.004 0.0192 0.0192
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0524 0.0524
Mycobacterium ulcerans NAD-dependent deacetylase 0.0346 0.3191 1
Giardia lamblia Transcriptional regulator, Sir2 family 0.0346 0.3191 0.3191
Echinococcus multilocularis tar DNA binding protein 0.0072 0.0505 0.0505
Brugia malayi hypothetical protein 0.0535 0.5048 0.501
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.0457 0.0386
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0457 0.027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0457 0.027
Loa Loa (eye worm) glutaminase 2 0.0267 0.2418 0.2362
Leishmania major sir2-family protein-like protein 0.0229 0.2049 0.199
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0067 0.0457 0.0457
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0077 0.0077
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0067 0.0457 0.1433
Loa Loa (eye worm) runx1 0.0067 0.0456 0.0386
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0067 0.0457 0.0386
Mycobacterium tuberculosis Conserved protein 0.0052 0.0306 0.0508
Entamoeba histolytica serine/threonine protein kinase, putative 0.0296 0.2708 0.2654
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0374 0.0304
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0497 0.0427
Schistosoma mansoni pyruvate kinase 0.004 0.0192 0.0192
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0492 0.4629 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2264 0.2208
Giardia lamblia NADH oxidase lateral transfer candidate 0.0067 0.0457 0.0457
Brugia malayi NAD-dependent deacetylase SIRT1 0.0459 0.4307 0.4263
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0459 0.4307 0.4264
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0443 0.4144 0.8935
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0052 0.0306 0.0743
Loa Loa (eye worm) transcriptional regulator 0.0229 0.2049 0.1991
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0067 0.0457 0.1433
Mycobacterium ulcerans pyruvate kinase 0.004 0.0192 0.0379
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0443 0.4144 0.8935
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.0457 0.0386
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0151 0.0151
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0457 0.027
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.0457 0.0386
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0077 0.024
Trypanosoma brucei SIR2-like protein 4, putative 0.0229 0.2049 0.199
Plasmodium vivax glutathione reductase, putative 0.0194 0.1702 0.5335
Echinococcus multilocularis thioredoxin glutathione reductase 0.0195 0.1708 0.1708
Plasmodium falciparum phd finger protein, putative 0.0028 0.0077 0.024
Onchocerca volvulus 0.0048 0.0265 0.038
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0192 0.026
Leishmania major hypothetical protein, conserved 0.045 0.4214 0.4171
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0052 0.0306 0.0233
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0077 0.0077
Echinococcus granulosus tar DNA binding protein 0.0072 0.0505 0.0505
Plasmodium vivax NAD-dependent deacetylase, putative 0.0346 0.3191 1
Plasmodium vivax thioredoxin reductase, putative 0.0194 0.1702 0.5335
Loa Loa (eye worm) hypothetical protein 0.01 0.0783 0.0715
Loa Loa (eye worm) pyruvate kinase 0.004 0.0192 0.0121
Trypanosoma cruzi hypothetical protein, conserved 0.045 0.4214 0.4101
Loa Loa (eye worm) hypothetical protein 0.0535 0.5048 0.5012
Loa Loa (eye worm) pyruvate kinase 0.004 0.0192 0.0121
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0783 0.0783
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0052 0.0306 0.0115
Loa Loa (eye worm) pyruvate kinase 0.004 0.0192 0.0121
Giardia lamblia Pyruvate kinase 0.004 0.0192 0.0192
Echinococcus granulosus peregrin 0.0028 0.0077 0.0077
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0497 0.0425
Giardia lamblia PHD finger protein 15 0.0028 0.0077 0.0077
Brugia malayi TAR-binding protein 0.0072 0.0505 0.0432
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.0457 0.027
Plasmodium falciparum thioredoxin reductase 0.0194 0.1702 0.5335
Plasmodium falciparum glutathione reductase 0.0067 0.0457 0.1433
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0346 0.3191 0.3141
Trichomonas vaginalis CAMK family protein kinase 0.0147 0.1238 0.1172
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0067 0.0457 0.1229
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0151 0.0151
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0443 0.4144 0.8935
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.0457 0.027
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0138 0.0138
Plasmodium vivax pyruvate kinase, putative 0.004 0.0192 0.0603
Brugia malayi Pre-SET motif family protein 0.0251 0.2264 0.2205
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2605 0.2549
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0077 0.0077
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0505 0.0505
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0067 0.0457 0.0457
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0192 0.0119
Trypanosoma brucei trypanothione reductase 0.0194 0.1702 0.164
Loa Loa (eye worm) hypothetical protein 0.0049 0.0275 0.0204
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0296 0.2708 0.2654
Onchocerca volvulus 0.01 0.0783 0.142
Brugia malayi Pre-SET motif family protein 0.0036 0.0151 0.0075
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0219 0.0145
Schistosoma mansoni serine/threonine protein kinase 0.0296 0.2708 0.2708
Mycobacterium tuberculosis Probable reductase 0.0443 0.4144 0.8935
Schistosoma mansoni hypothetical protein 0.0033 0.0124 0.0124
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0067 0.0457 0.1433
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0459 0.4307 0.4264
Loa Loa (eye worm) hypothetical protein 0.023 0.2055 0.1996
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.0457 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0276 0.0205
Trypanosoma cruzi polo-like protein kinase, putative 0.0296 0.2708 0.2564
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0067 0.0457 0.1229
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0192 0.0118
Giardia lamblia Sirtuin type 2 0.0229 0.2049 0.2049
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0077 0.024
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0067 0.0457 1
Echinococcus multilocularis chromobox protein 1 0.0071 0.0497 0.0497
Trichomonas vaginalis CAMK family protein kinase 0.0296 0.2708 0.2653
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0049 0.0282 0.0207
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0492 0.4629 1
Trypanosoma cruzi hypothetical protein, conserved 0.045 0.4214 0.4101
Giardia lamblia Kinase, PLK 0.0296 0.2708 0.2708
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0033 0.0124 0.0051
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0229 0.2049 0.1989
Toxoplasma gondii NADPH-glutathione reductase 0.0067 0.0457 0.1433
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0275 0.02
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0505 0.0505
Brugia malayi Thioredoxin reductase 0.0194 0.1702 0.1638
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0067 0.0457 0.0457
Schistosoma mansoni chromatin regulatory protein sir2 0.0459 0.4307 0.4307
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0192 0.0117
Echinococcus multilocularis chromobox protein 1 0.0071 0.0497 0.0497
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0067 0.0457 0.0386
Trichomonas vaginalis CAMK family protein kinase 0.0296 0.2708 0.2653
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0028 0.0077 0.0004
Echinococcus multilocularis Protein lozenge 0.0067 0.0456 0.0456
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0229 0.2049 0.2049
Schistosoma mansoni chromobox protein 0.0071 0.0497 0.0497
Trypanosoma cruzi trypanothione reductase, putative 0.0067 0.0457 0.027
Echinococcus granulosus pyruvate kinase 0.004 0.0192 0.0192
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0052 0.0306 0.0508
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0194 0.1702 0.3575
Entamoeba histolytica hypothetical protein, conserved 0.0229 0.2049 0.1991
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0067 0.0457 0.0386
Schistosoma mansoni pyruvate kinase 0.004 0.0192 0.0192
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0346 0.3191 0.3057
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0074 0.0233
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0229 0.2049 0.2049
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0346 0.3191 0.314
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0189 0.0115
Echinococcus granulosus chromobox protein 1 0.0071 0.0497 0.0497
Mycobacterium ulcerans Sir2-like regulatory protein 0.0229 0.2049 0.6337
Leishmania major pyruvate kinase 0.004 0.0192 0.0119
Onchocerca volvulus 0.0535 0.5048 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0048 0.0265 0.0265
Onchocerca volvulus 0.0286 0.2605 0.5086
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0346 0.3191 0.6844
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0151 0.0151
Brugia malayi transcriptional regulator, Sir2 family protein 0.0229 0.2049 0.1988
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0229 0.2049 0.1991
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0151 0.0151
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0151 0.0473
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0296 0.2708 0.2708
Echinococcus multilocularis peregrin 0.0028 0.0077 0.0077
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0346 0.3191 0.3057
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0712 0.0712

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 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) 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) 7.0795 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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 (binding) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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