Detailed information for compound 1874792

Basic information

Technical information
  • TDR Targets ID: 1874792
  • Name: N'-[[2-(phenylmethoxy)phenyl]methylideneamino ]-N-(pyridin-4-ylmethyl)oxamide
  • MW: 388.419 | Formula: C22H20N4O3
  • H donors: 2 H acceptors: 3 LogP: 2.77 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)NCc1ccncc1)N/N=C/c1ccccc1OCc1ccccc1
  • InChi: 1S/C22H20N4O3/c27-21(24-14-17-10-12-23-13-11-17)22(28)26-25-15-19-8-4-5-9-20(19)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,24,27)(H,26,28)/b25-15+
  • InChiKey: QGTIVEDFNCAORU-MFKUBSTISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[[2-(phenylmethoxy)phenyl]methyleneamino]-N-(4-pyridylmethyl)oxamide
  • N'-[[2-(benzyloxy)benzylidene]amino]-N-(4-pyridylmethyl)oxamide
  • N'-[[2-(phenylmethoxy)phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)ethanediamide
  • MLS000765968
  • SMR000279674
  • 2-[N'-(2-Benzyloxy-benzylidene)-hydrazino]-2-oxo-N-pyridin-4-ylmethyl-acetamide
  • BAS 00753447

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0282 0.2625 0.2625
Echinococcus multilocularis thyroid hormone receptor alpha 0.0282 0.2625 0.8346
Brugia malayi hypothetical protein 0.0262 0.2396 0.2396
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0282 0.2625 0.1797
Loa Loa (eye worm) hypothetical protein 0.0262 0.2396 0.1542
Echinococcus granulosus ecdysone induced protein 78C 0.0282 0.2625 0.8346
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0282 0.2625 0.8346
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0262 0.2396 0.9126
Schistosoma mansoni steroid hormone receptor ad4bp 0.0282 0.2625 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0282 0.2625 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.2625 0.1797
Onchocerca volvulus 0.0282 0.2625 0.2625
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0262 0.2396 0.9126
Schistosoma mansoni RAR-like nuclear receptor 0.0282 0.2625 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0282 0.2625 0.2625
Brugia malayi MH2 domain containing protein 0.0144 0.1009 0.1009
Echinococcus multilocularis ecdysone induced protein 78C 0.0282 0.2625 0.8346
Brugia malayi Nuclear hormone receptor-like 1 0.0282 0.2625 0.2625
Brugia malayi Nuclear hormone receptor-like 1 0.0262 0.2396 0.2396
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0282 0.2625 0.2625
Loa Loa (eye worm) hypothetical protein 0.0282 0.2625 0.1797
Brugia malayi hypothetical protein 0.0286 0.267 0.267
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0282 0.2625 0.8346
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0282 0.2625 0.8346
Brugia malayi hypothetical protein 0.0262 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0282 0.2625 0.1797
Loa Loa (eye worm) hypothetical protein 0.091 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.2625 0.1797
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.267 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0282 0.2625 0.2625
Schistosoma mansoni retinoic acid receptor RXR 0.0282 0.2625 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0282 0.2625 0.2625
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0282 0.2625 0.2625
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0282 0.2625 0.2625
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0282 0.2625 0.8346
Loa Loa (eye worm) hypothetical protein 0.0262 0.2396 0.1542
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0282 0.2625 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0262 0.2396 0.1542
Brugia malayi photoreceptor-specific nuclear receptor 0.0282 0.2625 0.2625
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0282 0.2625 0.2625
Loa Loa (eye worm) hypothetical protein 0.0262 0.2396 0.1542
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0282 0.2625 0.8346
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0282 0.2625 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0282 0.2625 0.1797
Loa Loa (eye worm) hypothetical protein 0.0262 0.2396 0.1542
Brugia malayi Nuclear hormone receptor-like 1 0.0262 0.2396 0.2396
Brugia malayi nuclear hormone receptor 0.0282 0.2625 0.2625
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0282 0.2625 0.1797
Onchocerca volvulus Bile acid receptor homolog 0.091 1 1
Brugia malayi nuclear receptor NHR-88 0.0282 0.2625 0.2625
Loa Loa (eye worm) hypothetical protein 0.0286 0.267 0.1847
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0282 0.2625 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0282 0.2625 0.8346
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0282 0.2625 0.8346
Schistosoma mansoni thyroid hormone receptor 0.0282 0.2625 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0282 0.2625 0.2625
Schistosoma mansoni thyroid hormone receptor 0.0282 0.2625 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0282 0.2625 0.8346
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0282 0.2625 0.1797
Echinococcus multilocularis FTZ F1 alpha 0.0282 0.2625 0.8346
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0282 0.2625 0.2625
Schistosoma mansoni coup transcription factor 0.0282 0.2625 1
Echinococcus granulosus FTZ F1 alpha 0.0282 0.2625 0.8346
Brugia malayi steroid hormone receptor 0.0282 0.2625 0.2625
Loa Loa (eye worm) hypothetical protein 0.0282 0.2625 0.1797
Loa Loa (eye worm) steroid hormone receptor 0.0282 0.2625 0.1797
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0282 0.2625 0.2625
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0282 0.2625 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0282 0.2625 0.2625
Onchocerca volvulus Protein ultraspiracle homolog 0.0282 0.2625 0.2625
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0282 0.2625 0.1797
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.267 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0282 0.2625 0.8346
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0282 0.2625 0.1797
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0282 0.2625 0.2625
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0282 0.2625 0.8346
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0282 0.2625 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.2625 0.1797
Loa Loa (eye worm) hypothetical protein 0.0282 0.2625 0.1797
Schistosoma mansoni nuclear hormone receptor 0.0282 0.2625 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0282 0.2625 0.8346
Brugia malayi Steroid receptor seven-up type 2 0.0282 0.2625 0.2625
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0282 0.2625 0.8346
Loa Loa (eye worm) hypothetical protein 0.0262 0.2396 0.1542
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0282 0.2625 0.2625
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0282 0.2625 0.1797
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0282 0.2625 0.8346
Brugia malayi nuclear receptor RXR 0.0262 0.2396 0.2396

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 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) 23.0999 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) 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: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 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

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.