Detailed information for compound 1428990

Basic information

Technical information
  • TDR Targets ID: 1428990
  • Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1, 3,4-thiadiazol-2-yl)acetamide
  • MW: 272.37 | Formula: C8H8N4OS3
  • H donors: 1 H acceptors: 4 LogP: 1.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1csc(n1)SCC(=O)Nc1nncs1
  • InChi: 1S/C8H8N4OS3/c1-5-2-14-8(10-5)15-3-6(13)11-7-12-9-4-16-7/h2,4H,3H2,1H3,(H,11,12,13)
  • InChiKey: XIRYYRKTLWLXOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-methylthiazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
  • 2-[(4-methyl-2-thiazolyl)thio]-N-(1,3,4-thiadiazol-2-yl)acetamide
  • 2-[(4-methylthiazol-2-yl)thio]-N-(1,3,4-thiadiazol-2-yl)acetamide
  • 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)ethanamide
  • 2-(4-Methyl-thiazol-2-ylsulfanyl)-N-[1,3,4]thiadiazol-2-yl-acetamide
  • ASN 09838006
  • ZINC04668920
  • AP-853/42939669
  • STK226442

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi heat shock protein 85, putative 0.0202 1 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0083 0.2588 0.2588
Trypanosoma brucei heat shock protein 90, putative 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Echinococcus granulosus endoplasmin 0.0161 0.7443 0.7443
Leishmania major heat shock protein, putative 0.0083 0.2588 0.2588
Trypanosoma brucei heat shock protein, putative 0.0202 1 1
Brugia malayi heat shock protein 90 0.0202 1 1
Trypanosoma brucei heat shock protein, putative 0.0202 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.4282 0.4282
Schistosoma mansoni heat shock protein 0.0083 0.2588 0.2588
Leishmania major heat shock protein 83-1 0.0202 1 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0202 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0161 0.7443 0.7443
Trichomonas vaginalis heat shock protein, putative 0.0161 0.7443 0.7443
Loa Loa (eye worm) heat shock protein 90 0.0202 1 1
Trichomonas vaginalis heat shock protein, putative 0.0083 0.2588 0.2588
Echinococcus multilocularis heat shock protein 90 0.0202 1 1
Chlamydia trachomatis DNA gyrase subunit B 0.0041 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.5437 0.5437
Chlamydia trachomatis DNA gyrase subunit B 0.0041 0 0.5
Plasmodium falciparum heat shock protein 90, putative 0.0083 0.2588 0.2588
Leishmania major heat shock protein 83-1 0.0202 1 1
Plasmodium vivax heat shock protein 90, putative 0.0083 0.2588 0.2588
Toxoplasma gondii heat shock protein 90, putative 0.0202 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0202 1 1
Trypanosoma brucei heat shock protein, putative 0.0202 1 1
Trichomonas vaginalis heat shock protein, putative 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Trypanosoma brucei heat shock protein 84, putative 0.0083 0.2588 0.2588
Schistosoma mansoni heat shock protein 0.0202 1 1
Trypanosoma brucei heat shock protein, putative 0.0202 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.3797 0.3797
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0161 0.7443 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0161 0.7443 0.7443
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0118 0.4764 0.4764
Mycobacterium ulcerans heat shock protein 90 0.0161 0.7443 1
Plasmodium vivax heat shock protein 86, putative 0.0202 1 1
Trypanosoma brucei heat shock protein, putative 0.0202 1 1
Giardia lamblia Grp94/Hsp90 0.0161 0.7443 0.7443
Plasmodium vivax endoplasmin, putative 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Echinococcus multilocularis heat shock protein 0.0202 1 1
Plasmodium falciparum heat shock protein 90, putative 0.0083 0.2588 0.2588
Echinococcus granulosus heat shock protein 90 0.0161 0.7443 0.7443
Treponema pallidum heat shock protein 90 0.0161 0.7443 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0118 0.4764 0.4764
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0041 0 0.5
Trypanosoma brucei heat shock protein, putative 0.0202 1 1
Trypanosoma cruzi heat shock protein, putative 0.0083 0.2588 0.2588
Loa Loa (eye worm) endoplasmin 0.0202 1 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0161 0.7443 1
Schistosoma mansoni endoplasmin 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Brugia malayi Hsp90 protein 0.0083 0.2588 0.2588
Entamoeba histolytica heat shock protein 90, putative 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Toxoplasma gondii heat shock protein 75, putative 0.0083 0.2588 0.2588
Plasmodium vivax heat shock protein, putative 0.0083 0.2588 0.2588
Trichomonas vaginalis heat shock protein, putative 0.0124 0.5145 0.5145
Trypanosoma brucei heat shock protein, putative 0.0202 1 1
Echinococcus multilocularis endoplasmin 0.0161 0.7443 0.7443
Schistosoma mansoni endoplasmin 0.0202 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0083 0.2588 0.2588
Leishmania major heat shock protein 83-1 0.0202 1 1
Leishmania major heat shock protein 83-1 0.0202 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0161 0.7443 0.7443
Echinococcus granulosus heat shock protein 90 0.0202 1 1
Schistosoma mansoni heat shock protein 0.0202 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0119 0.4855 0.4855
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0118 0.4764 0.4764
Leishmania major heat shock protein 83-1 0.0202 1 1
Toxoplasma gondii heat shock protein HSP90 0.0202 1 1
Trypanosoma brucei heat shock protein, putative 0.0202 1 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0161 0.7443 1
Trypanosoma cruzi heat shock protein 85, putative 0.0202 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0202 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.4282 0.4282
Trypanosoma brucei Heat shock protein 83, putative 0.0202 1 1
Echinococcus multilocularis heat shock protein 90 0.0161 0.7443 0.7443
Leishmania major heat shock protein 83-1 0.0202 1 1
Loa Loa (eye worm) heat shock protein 75 0.0083 0.2588 0.2588
Leishmania major heat shock protein 83-1 0.0202 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0118 0.4764 0.4764
Leishmania major heat shock protein 83-1 0.0202 1 1
Plasmodium falciparum heat shock protein 90 0.0202 1 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0083 0.2588 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0083 0.2588 0.2588
Trichomonas vaginalis endoplasmin, putative 0.0124 0.5145 0.5145
Trypanosoma cruzi heat shock protein 90, putative 0.0202 1 1
Echinococcus granulosus heat shock protein 0.0202 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.5437 0.5437
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0083 0.2588 0.2588
Giardia lamblia Heat shock protein HSP 90-alpha 0.0161 0.7443 0.7443
Trichomonas vaginalis heat shock protein, putative 0.0161 0.7443 0.7443
Trichomonas vaginalis heat shock protein, putative 0.0161 0.7443 0.7443
Plasmodium falciparum endoplasmin, putative 0.0124 0.5145 0.5145
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0161 0.7443 0.7443

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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