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  


Substructure search Similarity search

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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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