Detailed information for compound 1520787

Basic information

Technical information
  • TDR Targets ID: 1520787
  • Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]- N-(1,2,4-triazol-4-yl)acetamide
  • MW: 256.308 | Formula: C7H8N6OS2
  • H donors: 1 H acceptors: 5 LogP: 0.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nn1cnnc1)CSc1nnc(s1)C
  • InChi: 1S/C7H8N6OS2/c1-5-10-11-7(16-5)15-2-6(14)12-13-3-8-9-4-13/h3-4H,2H2,1H3,(H,12,14)
  • InChiKey: PQNSHKHRBDKLMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-(1,2,4-triazol-4-yl)acetamide
  • 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)ethanamide
  • MLS000037148
  • SMR000037371
  • STK133922
  • ZINC02329762

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 fructose-bisphosphate aldolase, putative 0.0284 0.4262 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4262 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0169 0.2299 1
Brugia malayi Thioredoxin family protein 0.0277 0.4132 1
Mycobacterium leprae Conserved hypothetical protein 0.0277 0.4132 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1778 0.4302
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4262 1
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0372 0.5759 1
Schistosoma mansoni hypothetical protein 0.0169 0.229 0.3977
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4262 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0409 0.2998
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0189 0.0538
Echinococcus multilocularis Transglutaminase 0.0277 0.4132 0.7174
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0409 0.0989
Echinococcus granulosus geminin 0.0169 0.229 0.3977
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.3209 0.7766
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0409 0.0989
Loa Loa (eye worm) hypothetical protein 0.0241 0.3521 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0189 0.0329
Mycobacterium tuberculosis Conserved hypothetical protein 0.0277 0.4132 1
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0372 0.5759 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0189 0.0458
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4262 1
Trichomonas vaginalis set domain proteins, putative 0.0231 0.3342 0.784
Brugia malayi Pre-SET motif family protein 0.0203 0.2864 0.6931
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0115 0.1363 1
Onchocerca volvulus 0.0231 0.3342 0.3342
Mycobacterium tuberculosis Long conserved protein 0.0277 0.4132 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4262 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.0244 0.0424
Schistosoma mansoni hypothetical protein 0.0277 0.4132 0.7174
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0228 0.3297 0.5725
Echinococcus granulosus Transglutaminase 0.0277 0.4132 0.7174
Plasmodium vivax hypothetical protein, conserved 0.0035 0 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0409 0.071
Schistosoma mansoni survival motor neuron protein 0.0049 0.0244 0.0424
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0169 0.2299 0.3992
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0189 0.0329
Brugia malayi hypothetical protein 0.0241 0.3521 0.8522
Echinococcus multilocularis geminin 0.0169 0.229 0.3977
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0409 0.0989
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0169 0.2299 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4262 1
Mycobacterium tuberculosis Hypothetical protein 0.0277 0.4132 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0169 0.2299 0.3992
Mycobacterium ulcerans transglutaminase family protein 0.0277 0.4132 1
Brugia malayi prolyl oligopeptidase family protein 0.0169 0.2299 0.5565
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4262 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.0802 0.2278
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0228 0.3297 0.3297
Echinococcus granulosus Dipeptidyl peptidase 9 0.0169 0.2299 0.3992
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1778 0.4302
Loa Loa (eye worm) hypothetical protein 0.0088 0.0902 0.256
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4262 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0189 0.0329
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0372 0.5759 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0228 0.3297 0.5725
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0169 0.2299 1
Mycobacterium tuberculosis Conserved protein 0.0277 0.4132 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0244 0.0591
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0228 0.3297 0.5725
Mycobacterium ulcerans hypothetical protein 0.0277 0.4132 1
Mycobacterium ulcerans putative transglutaminase-like protein 0.0277 0.4132 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0409 0.0989
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0169 0.2299 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0189 0.0329
Loa Loa (eye worm) prolyl oligopeptidase 0.0228 0.3297 0.9363
Brugia malayi hypothetical protein 0.0088 0.0902 0.2182
Trichomonas vaginalis peptide N-glycanase, putative 0.0277 0.4132 0.9694
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2864 0.8133
Schistosoma mansoni hypothetical protein 0.0169 0.229 0.3977
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0409 0.1778
Mycobacterium leprae Conserved hypothetical protein 0.0277 0.4132 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4262 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0409 0.071
Brugia malayi prolyl oligopeptidase family protein 0.0228 0.3297 0.798
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0409 0.071
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0169 0.2299 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0189 0.0329
Mycobacterium ulcerans hypothetical protein 0.0277 0.4132 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.4262 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0189 0.0329
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0189 0.0329
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.3521 0.6114
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1778 0.4302
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.3521 0.6114
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0409 0.071
Onchocerca volvulus 0.0049 0.0244 0.0244
Mycobacterium tuberculosis Conserved hypothetical protein 0.0277 0.4132 1
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.4262 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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