Detailed information for compound 1277230

Basic information

Technical information
  • TDR Targets ID: 1277230
  • Name: N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methan esulfonamide
  • MW: 221.3 | Formula: C6H11N3O2S2
  • H donors: 1 H acceptors: 4 LogP: 0.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1nnc(s1)NS(=O)(=O)C)C
  • InChi: 1S/C6H11N3O2S2/c1-4(2)5-7-8-6(12-5)9-13(3,10)11/h4H,1-3H3,(H,8,9)
  • InChiKey: DSHVSSFNAYOMRF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-isopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
  • ZINC01459338
  • MLS000123298
  • BAS 05276949
  • N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-methanesulfonamide
  • SMR000123898

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi DNA topoisomerase III beta-1 0.0049 0.0197 0.0589
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0159 0.1909 0.4931
Trypanosoma cruzi hexokinase, putative 0.0078 0.0657 0.0969
Onchocerca volvulus 0.0078 0.0657 0.1697
Plasmodium vivax DNA topoisomerase 3, putative 0.0049 0.0197 0.0197
Loa Loa (eye worm) hexokinase type II 0.0078 0.0657 0.197
Loa Loa (eye worm) hexokinase 0.0049 0.0204 0.0612
Schistosoma mansoni DNA topoisomerase II 0.0159 0.1909 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0049 0.0197 0.0118
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0111 0.1154 0.1888
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0682 1 1
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0049 0.0197 0.0065
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0049 0.0197 0.0118
Echinococcus granulosus hexokinase 0.0078 0.0657 0.3441
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0682 1 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0111 0.1154 0.1888
Loa Loa (eye worm) hypothetical protein 0.0111 0.1154 0.3462
Echinococcus multilocularis hexokinase 0.0078 0.0657 0.3441
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0049 0.0197 0.1029
Toxoplasma gondii DNA topoisomerase family protein 0.0049 0.0197 0.0354
Brugia malayi Pre-SET motif family protein 0.0251 0.3334 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0394 0.5544 1
Brugia malayi Inositol-1 0.0045 0.0132 0.0397
Loa Loa (eye worm) hexokinase 0.0078 0.0657 0.197
Trichomonas vaginalis DNA topoisomerase II, putative 0.0159 0.1909 0.4751
Entamoeba histolytica DNA topoisomerase III, putative 0.0049 0.0197 0.036
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3334 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0682 1 1
Echinococcus multilocularis hexokinase 0.0078 0.0657 0.3441
Plasmodium falciparum DNA gyrase subunit B 0.0682 1 1
Leishmania major mitochondrial DNA topoisomerase II 0.0394 0.5544 1
Brugia malayi hexokinase 0.0078 0.0657 0.197
Loa Loa (eye worm) DNA topoisomerase III 0.0049 0.0197 0.0589
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0049 0.0197 0.0171
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0049 0.0197 0.0171
Giardia lamblia DNA topoisomerase II 0.0138 0.1578 1
Treponema pallidum hexokinase (hxk) 0.0078 0.0657 0.047
Brugia malayi Hexokinase family protein 0.0078 0.0657 0.197
Loa Loa (eye worm) hypothetical protein 0.0054 0.0271 0.0812
Chlamydia trachomatis DNA gyrase subunit B 0.0447 0.6365 0.6292
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0049 0.0197 0.1029
Toxoplasma gondii DNA topoisomerase 2, putative 0.0159 0.1909 0.3443
Trypanosoma brucei DNA topoisomerase III, putative 0.0049 0.0197 0.0118
Trypanosoma brucei hexokinase, putative 0.0078 0.0657 0.0969
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0235 0.3077 1
Echinococcus granulosus hexokinase 0.0078 0.0657 0.3441
Leishmania major DNA topoisomerase 1A 0.0049 0.0197 0.0118
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0394 0.5544 1
Plasmodium vivax DNA topoisomerase II, putative 0.0159 0.1909 0.1909
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0049 0.0197 0.0118
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0049 0.0197 0.1029
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0159 0.1909 0.4931
Mycobacterium ulcerans DNA topoisomerase I 0.0049 0.0197 0.0065
Loa Loa (eye worm) hypothetical protein 0.0111 0.1154 0.3462
Loa Loa (eye worm) TOPoisomerase family member 0.0159 0.1909 0.5726
Trypanosoma cruzi DNA topoisomerase III, putative 0.0049 0.0197 0.0118
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0049 0.0197 0.0589
Echinococcus granulosus hexokinase 0.0078 0.0657 0.3441
Echinococcus multilocularis rho GTPase activating protein 20 0.0049 0.0197 0.1029
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0682 1 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0111 0.1154 0.1888
Schistosoma mansoni inositol monophosphatase 0.0045 0.0132 0.0694
Onchocerca volvulus 0.0078 0.0657 0.1697
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0159 0.1909 0.5726
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0159 0.1909 0.5726
Entamoeba histolytica hexokinase 1 0.0078 0.0657 0.2952
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0049 0.0197 0.1029
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0159 0.1909 1
Entamoeba histolytica hexokinase 2 0.0078 0.0657 0.2952
Plasmodium falciparum hexokinase 0.0078 0.0657 0.047
Brugia malayi Hexokinase family protein 0.0049 0.0204 0.0612
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0111 0.1154 0.1888
Trypanosoma brucei hexokinase 0.0078 0.0657 0.0969
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0132 0.0694
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0159 0.1909 0.4931
Echinococcus granulosus hexokinase type 2 0.0078 0.0657 0.3441
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0049 0.0197 0.1029
Loa Loa (eye worm) hexokinase 0.0078 0.0657 0.197
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0394 0.5544 1
Echinococcus multilocularis hexokinase type 2 0.0078 0.0657 0.3441
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0159 0.1909 1
Onchocerca volvulus 0.0286 0.3872 1
Toxoplasma gondii hexokinase 0.0078 0.0657 0.1185
Schistosoma mansoni hexokinase 0.0078 0.0657 0.3441
Trypanosoma brucei DNA topoisomerase III, putative 0.0049 0.0197 0.0118
Trypanosoma cruzi hexokinase, putative 0.0078 0.0657 0.0969
Onchocerca volvulus 0.0078 0.0657 0.1697
Echinococcus multilocularis hexokinase 0.0078 0.0657 0.3441
Plasmodium vivax DNA gyrase subunit B, putative 0.0682 1 1
Brugia malayi DNA topoisomerase III 0.0049 0.0197 0.0589
Schistosoma mansoni inositol monophosphatase 0.0045 0.0132 0.0694
Trypanosoma brucei DNA topoisomerase ii 0.0394 0.5544 1
Leishmania major DNA topoisomerase III, putative 0.0049 0.0197 0.0118
Trypanosoma cruzi DNA topoisomerase III, putative 0.0049 0.0197 0.0118
Leishmania major DNA topoisomerase III, putative 0.0049 0.0197 0.0118
Entamoeba histolytica DNA topoisomerase III, putative 0.0049 0.0197 0.036
Leishmania major DNA topoisomerase ii 0.0111 0.1154 0.1888
Leishmania major hexokinase, putative 0.0078 0.0657 0.0969
Onchocerca volvulus 0.0049 0.0204 0.0527
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0132 0.0694
Entamoeba histolytica DNA topoisomerase II, putative 0.0159 0.1909 1
Trypanosoma brucei hexokinase 0.0078 0.0657 0.0969
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0049 0.0197 0.0354
Plasmodium falciparum DNA topoisomerase 2 0.0159 0.1909 0.1747
Trypanosoma brucei DNA topoisomerase IA, putative 0.0049 0.0197 0.0118
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3872 1
Plasmodium vivax hexokinase, putative 0.0078 0.0657 0.0657
Onchocerca volvulus Hexokinase homolog 0.0049 0.0204 0.0527
Onchocerca volvulus 0.0049 0.0197 0.0508
Leishmania major hexokinase, putative 0.0078 0.0657 0.0969
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0049 0.0197 0.0452
Loa Loa (eye worm) inositol-1 0.0045 0.0132 0.0397
Brugia malayi GRF zinc finger family protein 0.0049 0.0197 0.0589
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0132 0.0239
Brugia malayi Probable DNA topoisomerase II 0.0159 0.1909 0.5726

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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