Detailed information for compound 285199

Basic information

Technical information
  • TDR Targets ID: 285199
  • Name: 1-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hyd razinyl]imidazolidine-2,4-dione
  • MW: 253.172 | Formula: C8H7N5O5
  • H donors: 2 H acceptors: 4 LogP: 0.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)N(C1)N/N=C/c1ccc(o1)[N+](=O)[O-]
  • InChi: 1S/C8H7N5O5/c14-6-4-12(8(15)10-6)11-9-3-5-1-2-7(18-5)13(16)17/h1-3,11H,4H2,(H,10,14,15)/b9-3+
  • InChiKey: OQWJTPCSQIEJLU-YCRREMRBSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(N'E)-N'-[(5-nitro-2-furyl)methylene]hydrazino]imidazolidine-2,4-dione
  • 1-[(N'E)-N'-[(5-nitro-2-furyl)methylene]hydrazino]hydantoin

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
Giardia lamblia Kinase, STE STE20 0.0149 0.0024 0.5
Brugia malayi Matrixin family protein 0.0169 0.006 0.074
Trypanosoma cruzi Peptide deformylase 2, putative 0.2107 0.3659 1
Trypanosoma brucei Polypeptide deformylase 1 0.2107 0.3659 1
Onchocerca volvulus Matrilysin homolog 0.0374 0.0441 1
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0241 0.0195 0.1985
Leishmania major polypeptide deformylase-like protein, putative 0.2107 0.3659 1
Brugia malayi Matrixin family protein 0.0169 0.006 0.074
Echinococcus granulosus adam 17 protease 0.0423 0.0532 0.5906
Loa Loa (eye worm) hypothetical protein 0.0205 0.0128 0.1024
Loa Loa (eye worm) hypothetical protein 0.0169 0.006 0.0477
Loa Loa (eye worm) hypothetical protein 0.0169 0.006 0.0477
Plasmodium falciparum peptide deformylase 0.5523 1 0.5
Mycobacterium tuberculosis Possible exported protein 0.0495 0.0666 0.0581
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0205 0.0128 0.2163
Trichomonas vaginalis STE family protein kinase 0.0149 0.0024 0.5
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0169 0.006 0.0811
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0182 0.0084 0.1249
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0182 0.0084 0.137
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.5523 1 1
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0182 0.0084 0.0696
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0185 0.0089 0.1364
Loa Loa (eye worm) hypothetical protein 0.0808 0.1248 1
Mycobacterium ulcerans hydrolase 0.0205 0.0128 0.0039
Trichomonas vaginalis STE family protein kinase 0.0149 0.0024 0.5
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0182 0.0084 0.0696
Schistosoma mansoni hypothetical protein 0.0239 0.019 0.3805
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0613 0.0884 1
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0241 0.0195 0.1985
Loa Loa (eye worm) matrixin family protein 0.0374 0.0441 0.3532
Echinococcus multilocularis adam 17 protease 0.0385 0.0461 0.5078
Loa Loa (eye worm) hypothetical protein 0.014 0.0006 0.0048
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.5523 1 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0006 0.0048
Loa Loa (eye worm) matrix metalloproteinase 0.0169 0.006 0.0477
Loa Loa (eye worm) hypothetical protein 0.0185 0.0089 0.0717
Loa Loa (eye worm) hypothetical protein 0.0185 0.0089 0.0717
Trichomonas vaginalis STE family protein kinase 0.0149 0.0024 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0374 0.0441 1
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0149 0.0024 0.0193
Mycobacterium leprae PROBABLE HYDROLASE 0.0205 0.0128 0.0039
Loa Loa (eye worm) hypothetical protein 0.014 0.0006 0.0048
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0613 0.0884 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0006 0.0048
Echinococcus multilocularis endothelin converting enzyme 1 0.0185 0.0089 0.076
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.2107 0.3659 1
Plasmodium vivax peptide deformylase, putative 0.5523 1 0.5
Loa Loa (eye worm) hypothetical protein 0.014 0.0006 0.0048
Toxoplasma gondii hypothetical protein 0.5523 1 1
Mycobacterium ulcerans peptide deformylase 0.5523 1 1
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0385 0.0461 1
Brugia malayi Matrixin family protein 0.0169 0.006 0.074
Brugia malayi Peptidase family M13 containing protein 0.0185 0.0089 0.1364
Loa Loa (eye worm) matrixin family protein 0.0407 0.0503 0.4033
Echinococcus granulosus endothelin converting enzyme 1 0.0185 0.0089 0.076
Loa Loa (eye worm) hypothetical protein 0.014 0.0006 0.0048
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0185 0.0089 0.1496
Loa Loa (eye worm) hypothetical protein 0.0185 0.0089 0.0717
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0205 0.0128 0.0039
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.5523 1 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.2107 0.3659 1
Treponema pallidum polypeptide deformylase (def) 0.5523 1 0.5
Brugia malayi Matrixin family protein 0.0169 0.006 0.074
Brugia malayi Hemopexin family protein 0.0239 0.019 0.3469
Trypanosoma brucei Peptide deformylase 2 0.2107 0.3659 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.006 0.0477
Trypanosoma cruzi Peptide deformylase 2, putative 0.2107 0.3659 1
Onchocerca volvulus 0.0239 0.019 0.3431
Brugia malayi Matrixin family protein 0.0407 0.0503 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 1.03 Mutagenic activity of the compound was tested in an Ames test on S. typhimurium TA98; Activity is log of revertants/nmol ChEMBL. 1995902
logP (ADMET) = -0.47 Partition coefficient (logP) ChEMBL. 1995902

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

1 literature reference was collected for this gene.

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