Detailed information for compound 1880209

Basic information

Technical information
  • TDR Targets ID: 1880209
  • Name: N-(4-hydroxyiminothiolan-3-yl)benzamide
  • MW: 236.29 | Formula: C11H12N2O2S
  • H donors: 2 H acceptors: 2 LogP: 2.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/1\CSCC1NC(=O)c1ccccc1
  • InChi: 1S/C11H12N2O2S/c14-11(8-4-2-1-3-5-8)12-9-6-16-7-10(9)13-15/h1-5,9,15H,6-7H2,(H,12,14)/b13-10+
  • InChiKey: JOEJVVSLZQCOBM-JLHYYAGUSA-N  

Network

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Synonyms

  • N-[(4Z)-4-hydroxyiminothiolan-3-yl]benzamide
  • N-[(4Z)-4-hydroxyiminotetrahydrothiophen-3-yl]benzamide
  • N-(4-hydroxyiminotetrahydrothiophen-3-yl)benzamide
  • N-(4-hydroxyimino-3-tetrahydrothiophenyl)benzamide
  • N-[(4Z)-4-hydroxyimino-3-tetrahydrothiophenyl]benzamide
  • N-(4-hydroximinotetrahydrothiophen-3-yl)benzamide
  • N-[(4Z)-4-hydroximinotetrahydrothiophen-3-yl]benzamide
  • N-(4-Hydroxyimino-tetrahydro-thiophen-3-yl)-benzamide
  • CBDivE_007571
  • BAS 00238828
  • MLS000105791
  • A4266/0181884
  • Oprea1_727818
  • SMR000102768

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis 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
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, 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
Echinococcus multilocularis pyruvate kinase 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
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
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase 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
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative 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 Pyruvate kinase, M2 isozyme 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) 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
Onchocerca volvulus Pyruvate kinase homolog 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
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, 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
Trypanosoma brucei pyruvate kinase 1 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
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum 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
Loa Loa (eye worm) pyruvate kinase 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 donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative 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
Plasmodium berghei pyruvate kinase, putative 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
Loa Loa (eye worm) hypothetical protein 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
Leishmania braziliensis 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus 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
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
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0331 0.2114
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0095 0.0364
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.021 0.3163 0.4283
Loa Loa (eye worm) hypothetical protein 0.0172 0.2538 0.4575
Schistosoma mansoni hypothetical protein 0.0495 0.7864 1
Entamoeba histolytica hypothetical protein 0.007 0.0848 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0848 0.1042
Schistosoma mansoni terminal deoxycytidyl transferase 0.0056 0.0619 0.075
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.021 0.3163 0.4283
Loa Loa (eye worm) hypothetical protein 0.0033 0.024 0.0294
Mycobacterium ulcerans DNA polymerase IV 0.0056 0.0619 0.0411
Plasmodium vivax glutathione reductase, putative 0.0092 0.1212 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0331 0.2114
Mycobacterium tuberculosis Probable oxidoreductase 0.0234 0.355 0.4847
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Entamoeba histolytica hypothetical protein 0.007 0.0848 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0869
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0032 0.0218 0.1101
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0032 0.0218 0.1101
Trypanosoma brucei DNA polymerase IV, putative 0.0056 0.0619 0.4694
Loa Loa (eye worm) pyruvate kinase 0.004 0.0356 0.0509
Echinococcus granulosus Smad4 0.0024 0.0083 0.0065
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0495 0.0777
Schistosoma mansoni hypothetical protein 0.0495 0.7864 1
Echinococcus multilocularis geminin 0.0495 0.7864 1
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0448 0.7094 1
Echinococcus multilocularis dna polymerase kappa 0.0056 0.0619 0.075
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0713 0.1182
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.0218 0.1101
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0218 0.1101
Echinococcus multilocularis muscleblind protein 1 0.0172 0.2538 0.32
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0056 0.0619 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0331 0.2114
Brugia malayi hypothetical protein 0.007 0.0848 0.1435
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0032 0.0218 0.1574
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0218 0.1101
Echinococcus multilocularis smad 0.0024 0.0083 0.0065
Brugia malayi MH1 domain containing protein 0.0024 0.0083 0.0009
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0032 0.0218 0.1574
Loa Loa (eye worm) hypothetical protein 0.004 0.0356 0.0509
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0713 0.1174
Leishmania major trypanothione reductase 0.0092 0.1212 1
Leishmania major DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0176 0.2597 0.2432
Trypanosoma brucei pyruvate kinase 1 0.004 0.0356 0.2337
Trypanosoma cruzi DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Loa Loa (eye worm) hypothetical protein 0.0028 0.0154 0.0134
Schistosoma mansoni smad1 5 8 and 0.0024 0.0083 0.0065
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0056 0.0619 0.075
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0869
Brugia malayi glutathione reductase 0.0092 0.1212 0.2113
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0848 0.1042
Echinococcus multilocularis Smad4 0.0024 0.0083 0.0065
Loa Loa (eye worm) pyruvate kinase 0.004 0.0356 0.0509
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0356 0.2337
Leishmania major DNA polymerase eta, putative 0.0081 0.1028 0.8352
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0495 0.0768
Loa Loa (eye worm) hypothetical protein 0.0172 0.2538 0.4575
Loa Loa (eye worm) hypothetical protein 0.0024 0.0095 0.0022
Toxoplasma gondii pyruvate kinase PyKII 0.0021 0.0032 0.0123
Leishmania major pyruvate kinase 0.004 0.0356 0.2337
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0218 0.1101
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0356 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0056 0.0619 0.0584
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0083 0.0065
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0083 0.0065
Echinococcus multilocularis thioredoxin glutathione reductase 0.0092 0.1212 0.1507
Echinococcus multilocularis muscleblind protein 0.0172 0.2538 0.32
Trypanosoma brucei DNA polymerase IV, putative 0.0056 0.0619 0.4694
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0448 0.7094 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0624 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0349 0.5449 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0624 1 1
Trypanosoma brucei unspecified product 0.0056 0.0619 0.4694
Echinococcus granulosus tar DNA binding protein 0.0062 0.0713 0.0869
Plasmodium falciparum pyruvate kinase 0.004 0.0356 0.2744
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0056 0.0619 0.075
Echinococcus multilocularis pyruvate kinase 0.004 0.0356 0.0414
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0218 0.1101
Loa Loa (eye worm) hypothetical protein 0.0081 0.1028 0.1762
Trypanosoma cruzi DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0095 0.0532
Echinococcus granulosus muscleblind protein 0.0172 0.2538 0.32
Plasmodium vivax thioredoxin reductase, putative 0.0092 0.1212 1
Schistosoma mansoni smad 0.0024 0.0083 0.0065
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0234 0.355 0.4741
Giardia lamblia Pyruvate kinase 0.0021 0.0032 0.0514
Loa Loa (eye worm) hypothetical protein 0.0049 0.0495 0.0768
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0032 0.0218 0.0237
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0083 0.0065
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0356 0.2337
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0356 0.5745
Schistosoma mansoni pyruvate kinase 0.004 0.0356 0.0414
Trypanosoma cruzi DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0083 0.0065
Schistosoma mansoni hypothetical protein 0.007 0.0848 0.1042
Giardia lamblia DINP protein human, muc B family 0.0056 0.0619 1
Brugia malayi ImpB/MucB/SamB family protein 0.0056 0.0619 0.1008
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0356 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0092 0.1212 0.1507
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0356 0.137
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0032 0.0218 0.1574
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0092 0.1212 0.1447
Trypanosoma cruzi DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0356 0.0518
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0356 0.2337
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0869
Leishmania major pyruvate kinase 0.004 0.0356 0.2337
Echinococcus granulosus dna polymerase eta 0.0081 0.1028 0.1272
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0154 0.0134
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0848 0.1042
Toxoplasma gondii NADPH-glutathione reductase 0.0032 0.0218 0.0838
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0218 0.1101
Loa Loa (eye worm) RNA binding protein 0.0062 0.0713 0.1174
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Loa Loa (eye worm) thioredoxin reductase 0.0092 0.1212 0.2105
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.024 0.0303
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0176 0.2597 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0032 0.0218 0.1574
Mycobacterium tuberculosis Probable reductase 0.021 0.3163 0.4283
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0218 0.1101
Plasmodium falciparum glutathione reductase 0.0092 0.1212 1
Brugia malayi MH1 domain containing protein 0.0024 0.0083 0.0009
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0032 0.0218 0.0237
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0234 0.355 0.4847
Trypanosoma brucei unspecified product 0.0039 0.0331 0.2114
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0042 0.0387 0.1492
Brugia malayi hypothetical protein 0.0024 0.0095 0.0032
Schistosoma mansoni smad1 5 8 and 0.0024 0.0083 0.0065
Brugia malayi ImpB/MucB/SamB family protein 0.0081 0.1028 0.177
Trypanosoma brucei trypanothione reductase 0.0092 0.1212 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0056 0.0619 0.075
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0218 0.1101
Schistosoma mansoni hypothetical protein 0.0033 0.024 0.0266
Entamoeba histolytica deoxycytidyl transferase, putative 0.0056 0.0619 0.6701
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0356 0.0201
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.0218 0.0237
Entamoeba histolytica hypothetical protein 0.007 0.0848 1
Schistosoma mansoni Smad4 0.0024 0.0083 0.0065
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0234 0.355 0.4847
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0218 0.1101
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0356 0.5745
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0056 0.0619 0.4694
Trypanosoma cruzi DNA polymerase eta, putative 0.0081 0.1028 0.8352
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0095 0.0532
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.0218 0.3514
Plasmodium vivax pyruvate kinase, putative 0.004 0.0356 0.2744
Trypanosoma brucei unspecified product 0.0039 0.0331 0.2114
Echinococcus granulosus pyruvate kinase 0.004 0.0356 0.0414
Echinococcus granulosus pyruvate kinase 0.004 0.0356 0.0414
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0713 0.0869
Brugia malayi Thioredoxin reductase 0.0092 0.1212 0.2113
Echinococcus multilocularis pyruvate kinase 0.004 0.0356 0.0414
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0095 0.0532
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.021 0.3163 0.4283
Echinococcus granulosus geminin 0.0495 0.7864 1
Echinococcus multilocularis dna polymerase eta 0.0081 0.1028 0.1272
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0218 0.1101
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0032 0.0218 0.1101
Mycobacterium ulcerans DNA polymerase IV 0.0056 0.0619 0.0411
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0495 0.0777
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.021 0.3163 0.4166
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0032 0.0218 0.1101
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.0218 0.3514
Mycobacterium tuberculosis Conserved hypothetical protein 0.0056 0.0619 0.0584
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0218 0.1101
Entamoeba histolytica hypothetical protein 0.007 0.0848 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0869
Schistosoma mansoni smad1 5 8 and 0.0024 0.0083 0.0065
Plasmodium falciparum thioredoxin reductase 0.0092 0.1212 1
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0624 1 1
Brugia malayi TAR-binding protein 0.0062 0.0713 0.1182
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0356 0.5
Plasmodium falciparum thioredoxin reductase 0.0032 0.0218 0.1574
Brugia malayi MH2 domain containing protein 0.0024 0.0083 0.0009
Mycobacterium tuberculosis Putative ferredoxin reductase 0.021 0.3163 0.4283
Schistosoma mansoni DNA polymerase eta 0.0081 0.1028 0.1272
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0713 0.0869
Giardia lamblia Pyruvate kinase 0.004 0.0356 0.5745
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0218 0.0261
Loa Loa (eye worm) glutathione reductase 0.0092 0.1212 0.2105
Mycobacterium ulcerans pyruvate kinase 0.004 0.0356 0.0141
Schistosoma mansoni pyruvate kinase 0.004 0.0356 0.0414
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.0619 0.4694
Echinococcus granulosus smad 0.0024 0.0083 0.0065
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0356 0.0518
Loa Loa (eye worm) transcription factor SMAD2 0.0349 0.5449 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0218 0.1101
Brugia malayi MH2 domain containing protein 0.0349 0.5449 1
Brugia malayi MH2 domain containing protein 0.0024 0.0083 0.0009
Plasmodium falciparum glutathione reductase 0.0032 0.0218 0.1574
Echinococcus granulosus dna polymerase kappa 0.0056 0.0619 0.075
Trichomonas vaginalis DNA polymerase eta, putative 0.0056 0.0619 1
Trypanosoma brucei DNA polymerase eta, putative 0.0081 0.1028 0.8352
Mycobacterium tuberculosis Probable dehydrogenase 0.021 0.3163 0.4283
Trypanosoma cruzi trypanothione reductase, putative 0.0092 0.1212 1
Brugia malayi RNA binding protein 0.0062 0.0713 0.1182
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0056 0.0619 0.1
Trypanosoma brucei DNA polymerase IV, putative 0.0056 0.0619 0.4694
Toxoplasma gondii thioredoxin reductase 0.0092 0.1212 0.4669
Leishmania major DNA polymerase eta, putative 0.0042 0.0387 0.2619
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0218 0.1101
Echinococcus multilocularis pyruvate kinase 0.0032 0.0216 0.0235
Trypanosoma cruzi DNA polymerase eta, putative 0.0042 0.0387 0.2619
Chlamydia trachomatis pyruvate kinase 0.004 0.0356 0.0141
Brugia malayi Smad1 0.0024 0.0083 0.0009
Brugia malayi Muscleblind-like protein 0.0172 0.2538 0.458
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0176 0.2597 0.3326
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0176 0.2597 0.2432
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0713 0.1174
Giardia lamblia NADH oxidase lateral transfer candidate 0.0032 0.0218 0.3515
Loa Loa (eye worm) pyruvate kinase 0.004 0.0356 0.0509
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0083 0.0065
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0032 0.0218 0.0838

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0079 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0079 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) 16.5113 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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