Detailed information for compound 1727077

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.369 | Formula: C11H13N3O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CNC1=NS(=O)(=O)c2c(S1)ccc(c2)[N+](=O)[O-])C
  • InChi: 1S/C11H13N3O4S2/c1-7(2)6-12-11-13-20(17,18)10-5-8(14(15)16)3-4-9(10)19-11/h3-5,7H,6H2,1-2H3,(H,12,13)
  • InChiKey: VXXUBCJOERZLBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 0.9701
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0289 0.9796 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0.6322 0.6321
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0386 0.0385
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.035 0.1093
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.035 0.1093
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0682 0.0076
Loa Loa (eye worm) hypothetical protein 0.0019 0.0386 0.0385
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0289 0.9796 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0189 0.6316 0.4996
Onchocerca volvulus 0.001 0.0052 0.0428
Mycobacterium tuberculosis Probable thioesterase TesA 0.0017 0.0297 0.0928
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.002 0.0412 0.1288
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0013 0.0178 0.0127
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.009 0.2842 0.2841
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.035 0.1093
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0289 0.9796 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0021 0.0455 0.1422
Mycobacterium ulcerans polyketide synthase 0.002 0.0412 0.0362
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0289 0.9796 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0016 0.0277 0.0715
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0021 0.0455 0.1281
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0021 0.0455 0.1422
Mycobacterium ulcerans Type I modular polyketide synthase 0.002 0.0412 0.0362
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0289 0.9796 1
Entamoeba histolytica hypothetical protein 0.0039 0.1073 0.0502
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0289 0.9796 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0022 0.0492 0.0398
Onchocerca volvulus 0.0042 0.1186 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0386 0.1207
Mycobacterium ulcerans thioesterase TesA 0.0017 0.0297 0.0246
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.02 0.6675 0.6675
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0289 0.9796 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0612 0.1778
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.019 0.6322 0.6453
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.001 0.0052 0.0051
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0289 0.9796 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.001 0.0052 0.0162
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0289 0.9796 0.9796
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.002 0.0412 0.1145
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0612 0.0563
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0107
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0289 0.9796 0.9796
Entamoeba histolytica hypothetical protein 0.0039 0.1073 0.0502
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0016 0.0286 0.0894
Mycobacterium ulcerans hypothetical protein 0.0026 0.0612 0.0563
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.001 0.0052 0.0162
Brugia malayi hypothetical protein 0.0039 0.1073 0.1072
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.003 0.0754 0.2358
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0289 0.9796 0.9795
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0016 0.0277 0.0226
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0038 0.1032 0.1031
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0289 0.9796 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.019 0.6322 0.6321
Loa Loa (eye worm) hypothetical protein 0.0034 0.0919 0.0918
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0612 0.0563
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0289 0.9796 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0289 0.9796 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.01 0.3195 0.3194
Loa Loa (eye worm) hypothetical protein 0.0026 0.0612 0.0611
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.001 0.0052 0.0162
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0612 0.0563
Echinococcus multilocularis geminin 0.0183 0.6092 0.6218
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 0.9701
Toxoplasma gondii type I fatty acid synthase, putative 0.0014 0.0213 0.011
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.019 0.6322 0.4595
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0612 0.0563
Mycobacterium ulcerans thioesterase 0.0017 0.0297 0.0246
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0612 0.0611
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0289 0.9796 1
Mycobacterium ulcerans polyketide synthase Pks9 0.0013 0.0178 0.0127
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0021 0.0455 0.1281
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0289 0.9796 0.9796
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0013 0.0169 0.0065
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.02 0.6675 0.6675
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0019 0.0391 0.1222
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1073 0.1094
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.002 0.0412 0.1288
Mycobacterium ulcerans polyketide synthase Pks13 0.003 0.0754 0.0706
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0289 0.9796 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.003 0.0754 0.2358
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0021 0.0455 0.0405
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0612 0.0563
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0289 0.9796 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0386 0.0385
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0289 0.9796 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0189 0.6316 0.4996
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0289 0.9796 0.9796
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0289 0.9796 1
Schistosoma mansoni hypothetical protein 0.0183 0.6092 0.6092
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0386 0.0336
Mycobacterium leprae Polyketide synthase Pks13 0.003 0.0754 0.2232
Onchocerca volvulus Fatty acid synthase homolog 0.0036 0.0968 0.8154
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0612 0.0563
Schistosoma mansoni hypothetical protein 0.0183 0.6092 0.6092
Mycobacterium ulcerans Type I modular polyketide synthase 0.002 0.0412 0.0362
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0289 0.9796 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0013 0.0178 0.04
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0612 0.1911
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0612 0.0611
Onchocerca volvulus 0.0026 0.0629 0.5293
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.019 0.6322 0.6321
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0412 0.1288
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0612 0.0563
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0017 0.0297 0.0778
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0289 0.9796 0.9796
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0021 0.0455 0.1422
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.019 0.6322 0.6453
Mycobacterium leprae Probable polyketide synthase Pks1 0.0021 0.0455 0.1281
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0289 0.9796 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.002 0.0412 0.0362
Echinococcus granulosus geminin 0.0183 0.6092 0.6218
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.01 0.32 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1073 0.1094
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0026 0.0629 0.0627
Mycobacterium ulcerans polyketide synthase 0.0021 0.0455 0.0405
Mycobacterium ulcerans Type I modular polyketide synthase 0.002 0.0412 0.0362
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.035 0.1093
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0019 0.0391 0.1222
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0021 0.0455 0.0405
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.002 0.0412 0.1145
Loa Loa (eye worm) fatty acid synthase 0.002 0.0403 0.0402
Loa Loa (eye worm) hypothetical protein 0.0026 0.0612 0.0611
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 0.9701
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0612 0.1911
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0612 0.0611
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 0.9701
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0289 0.9796 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 0.9701
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0289 0.9796 1
Entamoeba histolytica hypothetical protein 0.0039 0.1073 0.0502
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0016 0.0277 0.0226
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0189 0.6316 0.6211
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0289 0.9796 1
Onchocerca volvulus 0.0026 0.0612 0.5151
Schistosoma mansoni hypothetical protein 0.0039 0.1073 0.1072
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1073 0.1072
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.01 0.32 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0014 0.0217 0.0679
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.019 0.6322 0.4595
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0289 0.9796 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0289 0.9796 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0612 0.0611
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.002 0.0412 0.0411
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0026 0.0629 0.1964
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0011 0.0114 0.0355
Loa Loa (eye worm) hypothetical protein 0.0019 0.0386 0.0385
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0289 0.9796 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.001 0.0052 0.0162
Entamoeba histolytica hypothetical protein 0.0039 0.1073 0.0502
Loa Loa (eye worm) acyl carrier protein 0.0009 0.0038 0.0037
Loa Loa (eye worm) hypothetical protein 0.0019 0.0386 0.0385
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0612 0.1778
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0629 0.0627

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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