Detailed information for compound 1875738

Basic information

Technical information
  • TDR Targets ID: 1875738
  • Name: N'-[(3-methoxy-4-prop-2-enoxyphenyl)methylide neamino]-N-pyridin-2-yloxamide
  • MW: 354.36 | Formula: C18H18N4O4
  • H donors: 2 H acceptors: 3 LogP: 2.29 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1ccc(cc1OC)/C=N/NC(=O)C(=O)Nc1ccccn1
  • InChi: 1S/C18H18N4O4/c1-3-10-26-14-8-7-13(11-15(14)25-2)12-20-22-18(24)17(23)21-16-6-4-5-9-19-16/h3-9,11-12H,1,10H2,2H3,(H,22,24)(H,19,21,23)/b20-12+
  • InChiKey: JMYUMSXFJOVONL-UDWIEESQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(4-allyloxy-3-methoxy-phenyl)methyleneamino]-N-(2-pyridyl)oxamide
  • N'-[(4-allyloxy-3-methoxyphenyl)methyleneamino]-N-(2-pyridyl)oxamide
  • N'-[(4-allyloxy-3-methoxy-benzylidene)amino]-N-(2-pyridyl)oxamide
  • N'-[(3-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-N-pyridin-2-yl-ethanediamide
  • SMR000174400
  • BAS 00316325
  • 2-[N'-(4-Allyloxy-3-methoxy-benzylidene)-hydrazino]-2-oxo-N-pyridin-2-yl-acetamide
  • MLS000567573

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Loa Loa (eye worm) aminopeptidase N 0.0126 0.0881 0.2407
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2592 1
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0082 0.0408 0.0483
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0126 0.0881 0.1044
Loa Loa (eye worm) hypothetical protein 0.0082 0.0408 0.1102
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0044 0.0009 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8441 1
Brugia malayi Peptidase family M1 containing protein 0.0126 0.0881 0.2146
Brugia malayi hypothetical protein 0.0044 0.0009 0.0021
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0126 0.0881 0.3376
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0126 0.0881 0.0881
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0126 0.0881 0.1044
Mycobacterium ulcerans aminopeptidase N PepN 0.0126 0.0881 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0126 0.0881 0.1044
Brugia malayi Peptidase family M1 containing protein 0.0428 0.4105 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2221 0.5411
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0044 0.0009 0.001
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0044 0.0009 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0126 0.0881 0.0881
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0044 0.0009 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0126 0.0881 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0126 0.0881 0.1044
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2221 0.6106
Onchocerca volvulus 0.0286 0.2592 0.6307
Schistosoma mansoni aminopeptidase A (M01 family) 0.0044 0.0009 0.001
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0126 0.0881 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0126 0.0881 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0082 0.0408 0.4578
Toxoplasma gondii aminopeptidase n, putative 0.0044 0.0009 0.5
Echinococcus granulosus aminopeptidase N 0.0428 0.4105 0.4864
Brugia malayi hypothetical protein 0.0126 0.0881 0.2146
Loa Loa (eye worm) hypothetical protein 0.0082 0.0408 0.1102
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0126 0.0881 0.0881
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0044 0.0009 0.001
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0044 0.0009 0.001
Trypanosoma brucei Aminopeptidase M1, putative 0.0126 0.0881 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0126 0.0881 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0126 0.0881 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8441 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0082 0.0408 0.0408
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8441 0.8441
Loa Loa (eye worm) hypothetical protein 0.0383 0.3632 1
Toxoplasma gondii aminopeptidase N, putative 0.0044 0.0009 0.5
Onchocerca volvulus 0.0428 0.4105 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0044 0.0009 0.001
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0126 0.0881 0.0881
Loa Loa (eye worm) peptidase family M1 containing protein 0.0346 0.3233 0.8898
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0044 0.0009 0.001
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0126 0.0881 0.3376
Trypanosoma brucei Aminopeptidase M1, putative 0.0126 0.0881 1
Brugia malayi Peptidase family M1 containing protein 0.0044 0.0009 0.0021
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0126 0.0881 0.1044
Echinococcus multilocularis aminopeptidase N 0.0428 0.4105 0.4105
Entamoeba histolytica aminopeptidase, putative 0.0126 0.0881 1
Brugia malayi TATA binding protein associated factor 0.0044 0.0009 0.0021
Trypanosoma cruzi aminopeptidase, putative 0.0126 0.0881 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0044 0.0009 0.0009
Toxoplasma gondii aminopeptidase N protein 0.0044 0.0009 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0126 0.0881 0.0881
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0126 0.0881 0.0881
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0044 0.0009 0.5
Onchocerca volvulus 0.0126 0.0881 0.2129
Loa Loa (eye worm) hypothetical protein 0.0302 0.276 0.7593
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0126 0.0881 0.1044

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 3.1623 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) 4.1475 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 (binding) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 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
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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