Detailed information for compound 1551048

Basic information

Technical information
  • TDR Targets ID: 1551048
  • Name: N-(4-methyl-1,3-thiazol-2-yl)-1-(5-nitrofuran -2-yl)methanimine
  • MW: 237.235 | Formula: C9H7N3O3S
  • H donors: 0 H acceptors: 3 LogP: 2.55 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(o1)C=Nc1nc(cs1)C
  • InChi: 1S/C9H7N3O3S/c1-6-5-16-9(11-6)10-4-7-2-3-8(15-7)12(13)14/h2-5H,1H3
  • InChiKey: OPWJYYKBJLEFLH-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(4-methylthiazol-2-yl)-1-(5-nitro-2-furyl)methanimine
  • N-(4-methyl-2-thiazolyl)-1-(5-nitro-2-furyl)methanimine
  • (4-methylthiazol-2-yl)-[(5-nitro-2-furyl)methylene]amine
  • (E)-(4-methylthiazol-2-yl)-[(5-nitro-2-furyl)methylene]amine
  • NSC166725

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0041 0.4837 0.5802
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Leishmania major DNA polymerase eta, putative 0.0054 0.8338 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5459 0.6547
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5459 0.6547
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.4837 0.4837
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5459 0.6547
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4837 0.4837
Entamoeba histolytica hypothetical protein 0.0043 0.5459 1
Echinococcus granulosus dna polymerase eta 0.0054 0.8338 1
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.8338 0.8338
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.8338 0.8338
Entamoeba histolytica hypothetical protein 0.0043 0.5459 1
Entamoeba histolytica hypothetical protein 0.0043 0.5459 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.8338 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.3982 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Leishmania major DNA polymerase eta, putative 0.0038 0.3982 0.4775
Schistosoma mansoni DNA polymerase eta 0.0054 0.8338 1
Brugia malayi hypothetical protein 0.0043 0.5459 0.5459
Schistosoma mansoni hypothetical protein 0.0043 0.5459 0.6547
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.3982 0.4775
Echinococcus multilocularis dna polymerase eta 0.0054 0.8338 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.5459 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.8338 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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