Detailed information for compound 1406900

Basic information

Technical information
  • TDR Targets ID: 1406900
  • Name: N-(2-furan-2-yl-2-morpholin-4-ylethyl)-N'-(py ridin-3-ylmethyl)oxamide
  • MW: 358.392 | Formula: C18H22N4O4
  • H donors: 2 H acceptors: 3 LogP: -0.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)NCc1cccnc1)NCC(c1ccco1)N1CCOCC1
  • InChi: 1S/C18H22N4O4/c23-17(20-12-14-3-1-5-19-11-14)18(24)21-13-15(16-4-2-8-26-16)22-6-9-25-10-7-22/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,23)(H,21,24)
  • InChiKey: IBDCBLVKEVDOOG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(2-furyl)-2-morpholino-ethyl]-N'-(3-pyridylmethyl)oxamide
  • N-[2-(2-furyl)-2-morpholinoethyl]-N'-(3-pyridylmethyl)oxamide
  • N-(2-furan-2-yl-2-morpholin-4-yl-ethyl)-N'-(pyridin-3-ylmethyl)ethanediamide
  • MLS000686146
  • SMR000324184

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0259 0.4136 0.4108
Echinococcus granulosus pyruvate kinase 0.0318 0.5093 0.5064
Echinococcus granulosus intermediate filament protein 0.0033 0.0448 0.0391
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0203 0.0112
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1115 0.1115
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0259 0.4136 0.4108
Echinococcus granulosus pyruvate kinase 0.0318 0.5093 0.5064
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0175 0.0116
Schistosoma mansoni pyruvate kinase 0.0318 0.5093 0.5093
Echinococcus granulosus lamin dm0 0.0033 0.0448 0.0391
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0259 0.4136 0.4108
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0259 0.4136 0.4108
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0448 0.0358
Loa Loa (eye worm) pyruvate kinase 0.0131 0.2043 0.1968
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0259 0.4136 0.4108
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0188 0.2969 0.2905
Treponema pallidum pyruvate phosphate dikinase 0.0259 0.4136 0.5
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0259 0.4136 0.4108
Schistosoma mansoni cpg binding protein 0.0037 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0015 0.0165 0.0072
Schistosoma mansoni lamin 0.0033 0.0448 0.0448
Echinococcus multilocularis lamin dm0 0.0033 0.0448 0.0391
Schistosoma mansoni intermediate filament proteins 0.0033 0.0448 0.0448
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0448 0.036
Schistosoma mansoni hypothetical protein 0.0494 0.7945 0.7945
Echinococcus multilocularis pyruvate kinase 0.0318 0.5093 0.5064
Schistosoma mansoni cpg binding protein 0.0037 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0015 0.0165 0.0072
Loa Loa (eye worm) hypothetical protein 0.0433 0.695 0.6921
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0448 0.0358
Brugia malayi intermediate filament protein 0.0033 0.0448 0.036
Echinococcus multilocularis lamin 0.0033 0.0448 0.0391
Echinococcus multilocularis pyruvate kinase 0.0318 0.5093 0.5064
Echinococcus granulosus dnaJ subfamily B 0.0494 0.7945 0.7933
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0259 0.4136 0.4108
Echinococcus granulosus lamin 0.0033 0.0448 0.0391
Echinococcus granulosus pyruvate kinase 0.0318 0.5093 0.5064
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0094 0.0035
Echinococcus multilocularis pyruvate kinase 0.049 0.7876 0.7863
Loa Loa (eye worm) hypothetical protein 0.0033 0.0448 0.0358
Schistosoma mansoni cpg binding protein 0.0035 0.0483 0.0483
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0175 0.0116
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.7945 0.7933
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0203 0.011
Echinococcus granulosus cpg binding protein 0.0037 0.0515 0.0458
Wolbachia endosymbiont of Brugia malayi pyruvate phosphate dikinase 0.0259 0.4136 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0094 0.0035
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0259 0.4136 0.4108
Loa Loa (eye worm) hypothetical protein 0.0016 0.0175 0.0082
Echinococcus multilocularis pyruvate kinase 0.0318 0.5093 0.5064
Entamoeba histolytica pyruvate kinase, putative 0.0433 0.695 1
Schistosoma mansoni lamin 0.0033 0.0448 0.0448
Brugia malayi pyruvate kinase 0.0131 0.2043 0.197
Loa Loa (eye worm) pyruvate kinase-PB 0.0433 0.695 0.6921
Brugia malayi pyruvate kinase, muscle isozyme 0.0131 0.2043 0.197
Toxoplasma gondii pyruvate kinase PyKII 0.0318 0.5093 0.4556
Loa Loa (eye worm) hypothetical protein 0.0032 0.0439 0.0348
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0259 0.4136 0.4108
Giardia lamblia Pyruvate kinase 0.0318 0.5093 0.1633
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0059 0.0059
Onchocerca volvulus 0.0035 0.0483 0.0036
Brugia malayi CXXC zinc finger family protein 0.0035 0.0483 0.0395
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0259 0.4136 0.4108
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0483 0.0393
Echinococcus multilocularis cpg binding protein 0.0037 0.0515 0.0458
Echinococcus multilocularis musashi 0.0033 0.0448 0.0391

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 2.8184 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) 3.6964 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) 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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