Detailed information for compound 1877475

Basic information

Technical information
  • TDR Targets ID: 1877475
  • Name: N,N'-bis[(5-methylfuran-2-yl)methylideneamino ]oxamide
  • MW: 302.285 | Formula: C14H14N4O4
  • H donors: 2 H acceptors: 2 LogP: 2.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)N/N=C/c1ccc(o1)C)N/N=C/c1ccc(o1)C
  • InChi: 1S/C14H14N4O4/c1-9-3-5-11(21-9)7-15-17-13(19)14(20)18-16-8-12-6-4-10(2)22-12/h3-8H,1-2H3,(H,17,19)(H,18,20)/b15-7+,16-8+
  • InChiKey: GARMHMLTLZCELP-BGPOSVGRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N'-bis[(5-methyl-2-furyl)methyleneamino]oxamide
  • N,N'-bis[(5-methylfuran-2-yl)methylideneamino]ethanediamide
  • T0508-0759
  • MLS001006814
  • SMR000349731

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) prolyl oligopeptidase 0.1263 0.062 0.0777
Loa Loa (eye worm) hypothetical protein 0.1263 0.062 0.0777
Loa Loa (eye worm) hypothetical protein 0.1003 0.048 0.0602
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.1263 0.062 0.0597
Brugia malayi Serine carboxypeptidase S28 family protein 0.1003 0.048 0.0591
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1263 0.062 0.0605
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.5859 0.3097 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.1263 0.062 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Loa Loa (eye worm) hypothetical protein 0.1003 0.048 0.0602
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Toxoplasma gondii hypothetical protein 0.1263 0.062 0.0597
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Toxoplasma gondii prolyl endopeptidase 0.1263 0.062 0.0597
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.5859 0.3097 0.3086
Trichomonas vaginalis conserved hypothetical protein 0.1003 0.048 0.7721
Trichomonas vaginalis lysosomal pro-X carboxypeptidase, putative 0.1003 0.048 0.7721
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1263 0.062 1
Brugia malayi prolyl oligopeptidase family protein 0.1263 0.062 0.0767
Entamoeba histolytica prolyl oligopeptidase family protein 0.1263 0.062 1
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 1.8668 1 1
Echinococcus granulosus acylamino acid releasing enzyme 0.1263 0.062 0.0611
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 1.4905 0.7972 1
Plasmodium falciparum peptidase, putative 0.1263 0.062 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1263 0.062 0.0605
Echinococcus granulosus Dipeptidyl peptidase 9 0.5859 0.3097 0.309
Loa Loa (eye worm) hypothetical protein 0.1003 0.048 0.0602
Giardia lamblia Alanyl dipeptidyl peptidase 0.1263 0.062 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 1.4905 0.7972 0.797
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.1003 0.048 0.0471
Loa Loa (eye worm) hypothetical protein 0.1764 0.0889 0.1116
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.1263 0.062 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1003 0.048 0.7721
Trypanosoma cruzi prolyl endopeptidase 0.1263 0.062 0.0536
Entamoeba histolytica dipeptidyl-peptidase, putative 0.1263 0.062 1
Brugia malayi hypothetical protein 0.4096 0.2146 0.2684
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Brugia malayi Serine protease Z688.6 precursor 0.1003 0.048 0.0591
Trypanosoma cruzi hypothetical protein, conserved 0.1263 0.062 0.0536
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.5859 0.3097 1
Trypanosoma cruzi oligopeptidase b 0.1263 0.062 0.0536
Echinococcus granulosus prolyl endopeptidase 0.1263 0.062 0.0611
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.1003 0.048 0.0465
Echinococcus multilocularis Dipeptidyl peptidase 9 0.5859 0.3097 0.309
Trypanosoma cruzi hypothetical protein, conserved 0.1263 0.062 0.0536
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.1263 0.062 0.5
Brugia malayi prolyl oligopeptidase family protein 0.1263 0.062 0.0767
Echinococcus multilocularis prolyl endopeptidase 0.1263 0.062 0.0611
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 1.4905 0.7972 0.797
Entamoeba histolytica prolyl oligopeptidase family protein 0.1263 0.062 1
Loa Loa (eye worm) hypothetical protein 0.4096 0.2146 0.2692
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.5859 0.3097 1
Loa Loa (eye worm) hypothetical protein 0.1003 0.048 0.0602
Brugia malayi Serine protease Z688.6 precursor 0.1003 0.048 0.0591
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.013 0.0009 0.0012
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.1263 0.062 0.5
Loa Loa (eye worm) prolyl oligopeptidase 1.4905 0.7972 1
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.1003 0.048 0.7721
Plasmodium vivax hypothetical protein, conserved 0.1263 0.062 0.5
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.1263 0.062 0.0536
Echinococcus multilocularis acylamino acid releasing enzyme 0.1263 0.062 0.0611
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1263 0.062 0.0605
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.5859 0.3097 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.5359 0.2827 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.1263 0.062 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 1.4905 0.7972 0.7969
Trichomonas vaginalis conserved hypothetical protein 0.1263 0.062 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.1263 0.062 1
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.1003 0.048 0.0471
Mycobacterium tuberculosis Probable peptidase 0.1263 0.062 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.1263 0.062 0.0536
Brugia malayi prolyl oligopeptidase family protein 0.5859 0.3097 0.3877
Trypanosoma cruzi oligopeptidase b 0.1263 0.062 0.0536
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Loa Loa (eye worm) hypothetical protein 0.1263 0.062 0.0777
Brugia malayi prolyl oligopeptidase family protein 0.1263 0.062 0.0767
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.1003 0.048 0.7721
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.1263 0.062 0.0605
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.1263 0.062 1
Brugia malayi prolyl oligopeptidase family protein 1.4905 0.7972 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.1263 0.062 0.0187
Entamoeba histolytica hypothetical protein, conserved 0.1263 0.062 1
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.1003 0.048 0.7721
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.5859 0.3097 1
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 1.8668 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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