Detailed information for compound 1570056

Basic information

Technical information
  • TDR Targets ID: 1570056
  • Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoy l]phenyl]-5-nitrothiophene-2-carboxamide
  • MW: 439.489 | Formula: C15H13N5O5S3
  • H donors: 2 H acceptors: 7 LogP: 3.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(s1)[N+](=O)[O-]
  • InChi: 1S/C15H13N5O5S3/c1-2-12-17-18-15(27-12)19-28(24,25)10-5-3-9(4-6-10)16-14(21)11-7-8-13(26-11)20(22)23/h3-8H,2H2,1H3,(H,16,21)(H,18,19)
  • InChiKey: QUWQKTVQYYQGTB-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide
  • N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-5-nitro-2-thiophenecarboxamide
  • ZINC01747055

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Thioredoxin reductase 0.013 1 1
Plasmodium falciparum glutathione reductase 0.013 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0045 0.0195 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.013 1 1
Plasmodium vivax glutathione reductase, putative 0.013 1 1
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Loa Loa (eye worm) thioredoxin reductase 0.013 1 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0045 0.0195 0.5
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0045 0.0195 0.5
Trypanosoma brucei trypanothione reductase 0.013 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.013 1 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0045 0.0195 0.0195
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0045 0.0195 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.013 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0045 0.0195 0.0195
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0045 0.0195 0.5
Plasmodium vivax thioredoxin reductase, putative 0.013 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0045 0.0195 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.0195 0.5
Treponema pallidum NADH oxidase 0.0045 0.0195 0.5
Leishmania major trypanothione reductase 0.013 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.0195 0.5
Plasmodium falciparum thioredoxin reductase 0.013 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0045 0.0195 0.5
Toxoplasma gondii thioredoxin reductase 0.013 1 1
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Loa Loa (eye worm) glutathione reductase 0.013 1 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0045 0.0195 0.0195
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.013 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0045 0.0195 0.0195
Trichomonas vaginalis glutathione reductase, putative 0.0045 0.0195 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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