Detailed information for compound 1070427

Basic information

Technical information
  • TDR Targets ID: 1070427
  • Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulf onamide
  • MW: 193.247 | Formula: C4H7N3O2S2
  • H donors: 1 H acceptors: 4 LogP: 0.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nnc(s1)NS(=O)(=O)C
  • InChi: 1S/C4H7N3O2S2/c1-3-5-6-4(10-3)7-11(2,8)9/h1-2H3,(H,6,7)
  • InChiKey: SUFUAKJTXOWVSS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000073721
  • N-(5-Methyl-[1,3,4]thiadiazol-2-yl)-methanesulfonamide
  • SMR000011793
  • BAS 03032641
  • ZINC01006301
  • AN-652/12499341
  • ST5302688

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
Mycobacterium ulcerans acetyl-CoA synthetase 0.0093 0.0178 0.0197
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0055 0.0044 0.0044
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.058 0.194 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0093 0.0178 0.0382
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Trichomonas vaginalis antibiotic synthetase, putative 0.0093 0.0178 0.0382
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.194 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.1944 0.6866 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0053 0.0036 0.0036
Onchocerca volvulus 0.0093 0.0178 0.924
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.194 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0093 0.0178 0.0382
Giardia lamblia Fructose-bisphosphate aldolase 0.058 0.194 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0093 0.0178 0.026
Onchocerca volvulus 0.0093 0.0178 0.924
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.1876 0.662 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0108 0.6079
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0108 0.0164
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0081 0.0057
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0053 0.0036 0.0036
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0178 0.026
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0093 0.0178 0.0197
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0093 0.0178 0.0208
Schistosoma mansoni hypothetical protein 0.0047 0.0014 0.0014
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0093 0.0178 0.0152
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0093 0.0178 0.0197
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Echinococcus multilocularis inositol monophosphatase 1 0.0073 0.0108 0.0108
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0093 0.0178 0.0152
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0093 0.0178 0.0208
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0229 0.0669 0.0669
Schistosoma mansoni acetyl-CoA synthetase 0.0093 0.0178 0.0178
Leishmania major 4-coumarate:coa ligase-like protein 0.0093 0.0178 0.0273
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0093 0.0178 0.1898
Loa Loa (eye worm) hypothetical protein 0.0232 0.0682 0.0994
Loa Loa (eye worm) oxidoreductase 0.0093 0.0178 0.026
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0093 0.0178 0.0197
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0093 0.0178 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0093 0.0178 0.027
Schistosoma mansoni microsomal glutathione s-transferase 0.0229 0.0669 0.0669
Echinococcus multilocularis long chain fatty acid transport protein 4 0.1876 0.662 0.662
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0093 0.0178 0.0382
Onchocerca volvulus 0.0093 0.0178 0.924
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0093 0.0178 0.0208
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0093 0.0178 0.0273
Brugia malayi hypothetical protein 0.0232 0.0682 0.0994
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0014 0.0021
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Entamoeba histolytica acyl-CoA synthetase, putative 0.0093 0.0178 0.0382
Echinococcus granulosus microsomal glutathione S transferase 3 0.0229 0.0669 0.0669
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.194 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0093 0.0178 0.027
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.1944 0.6866 1
Echinococcus granulosus long chain fatty acid transport protein 4 0.1876 0.662 0.662
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0093 0.0178 0.0208
Brugia malayi AMP-binding enzyme family protein 0.1944 0.6866 1
Schistosoma mansoni FFA transport protein 0.1876 0.662 0.662
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0093 0.0178 0.0152
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0055 0.0044 0.0044
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.1851 0.6531 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0093 0.0178 0.0208
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0108 0.0166
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0093 0.0178 0.0152
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.194 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0284 0.0868 0.1207
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0093 0.0178 0.026
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0073 0.0108 0.5
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0093 0.0178 0.0178
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.058 0.194 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.003 0.0044
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0093 0.0178 0.027
Schistosoma mansoni inositol monophosphatase 0.0073 0.0108 0.0108
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Loa Loa (eye worm) hypothetical protein 0.0093 0.0178 0.026
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.1851 0.6531 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.0691 0.0998
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0108 0.0164
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.194 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0093 0.0178 0.1898
Schistosoma mansoni lipoxygenase 0.0053 0.0036 0.0036
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0178 0.026
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0093 0.0178 0.0208
Leishmania major fatty acid transporter protein-like protein 0.1851 0.6531 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0073 0.0108 0.0743
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0064 0.0029
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0093 0.0178 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0093 0.0178 0.0152
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0055 0.0044 0.0067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0064 0.0029
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0093 0.0178 0.0197
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0284 0.0868 0.127
Leishmania major 4-coumarate:coa ligase-like protein 0.0093 0.0178 0.0273
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0093 0.0178 0.0197
Leishmania major acetyl-CoA synthetase, putative 0.0093 0.0178 0.0273
Plasmodium vivax acetyl-CoA synthetase, putative 0.0093 0.0178 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.194 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0073 0.0108 0.0095
Leishmania major acetyl-CoA synthetase, putative 0.0093 0.0178 0.0273
Entamoeba histolytica acyl-CoA synthetase, putative 0.0093 0.0178 0.0382
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0178 0.026
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.0682 0.0682
Schistosoma mansoni inositol monophosphatase 0.0073 0.0108 0.0108
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0093 0.0178 0.0208
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0284 0.0868 0.122
Leishmania major 4-coumarate:coa ligase-like protein 0.0093 0.0178 0.0273
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.194 1
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0093 0.0178 0.026
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0998 0.3447 0.3447
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0093 0.0178 0.027
Loa Loa (eye worm) hypothetical protein 0.0093 0.0178 0.026
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0093 0.0178 0.0178
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0064 0.0064
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0178 0.026
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0093 0.0178 0.0197
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0093 0.0178 0.0197
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0064 0.0064
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0178 0.026
Onchocerca volvulus 0.0097 0.0192 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0014 0.0014
Brugia malayi Inositol-1 0.0073 0.0108 0.0158
Echinococcus granulosus inositol monophosphatase 1 0.0073 0.0108 0.0108
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0093 0.0178 0.0197
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0064 0.0064
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0093 0.0178 0.0208
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0064 0.0097
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0093 0.0178 0.0197
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.058 0.194 1
Loa Loa (eye worm) inositol-1 0.0073 0.0108 0.0158
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0093 0.0178 0.026
Toxoplasma gondii propionate-CoA ligase 0.0093 0.0178 0.1898
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.0682 0.0682
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0093 0.0178 0.0208
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.1876 0.662 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0093 0.0178 0.0208
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0093 0.0178 0.0208
Treponema pallidum fructose-bisphosphate aldolase 0.058 0.194 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0064 0.0029
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0093 0.0178 0.0197
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0093 0.0178 0.0208
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0068 0.009 0.0071
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0093 0.0178 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0044 0.0064
Toxoplasma gondii MAPEG family protein 0.0229 0.0669 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0178 0.026
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0093 0.0178 0.0197
Mycobacterium ulcerans hypothetical protein 0.0093 0.0178 0.0197
Loa Loa (eye worm) hypothetical protein 0.0093 0.0178 0.026
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0178 0.0197
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0064 0.003
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0055 0.0044 0.0044
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0178 0.026
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0093 0.0178 0.0208
Onchocerca volvulus 0.0093 0.0178 0.924

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5221 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

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.
 
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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