Detailed information for compound 840805

Basic information

Technical information
  • TDR Targets ID: 840805
  • Name: N-[(3S,4Z)-4-hydroxyiminothiolan-3-yl]benzami de
  • MW: 236.29 | Formula: C11H12N2O2S
  • H donors: 2 H acceptors: 2 LogP: 2.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ON=C1CSC[C@@H]1NC(=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+/t9-/m1/s1
  • InChiKey: JOEJVVSLZQCOBM-YPJZTRPGSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3S)-4-hydroxyiminothiolan-3-yl]benzamide
  • N-[(3S,4Z)-4-hydroxyiminotetrahydrothiophen-3-yl]benzamide
  • N-[(3S)-4-hydroxyiminotetrahydrothiophen-3-yl]benzamide
  • N-[(3S)-4-hydroxyimino-3-tetrahydrothiophenyl]benzamide
  • N-[(3S,4Z)-4-hydroxyimino-3-tetrahydrothiophenyl]benzamide
  • N-[(3S,4Z)-4-hydroximinotetrahydrothiophen-3-yl]benzamide
  • N-[(3S)-4-hydroximinotetrahydrothiophen-3-yl]benzamide
  • BIM-0021903.P001
  • CBMicro_021820
  • STOCK1N-11686
  • ZINC00286867

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


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

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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