Detailed information for compound 1796696

Basic information

Technical information
  • TDR Targets ID: 1796696
  • Name: methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin- 4-yl]oxyphenyl]-3-methoxyprop-2-enoate
  • MW: 403.387 | Formula: C22H17N3O5
  • H donors: 0 H acceptors: 4 LogP: 3.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C=C(/c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)\C(=O)OC
  • InChi: 1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13-
  • InChiKey: WFDXOXNFNRHQEC-LGMDPLHJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoate
  • (Z)-2-[2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]phenyl]-3-methoxyprop-2-enoic acid methyl ester
  • (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-acrylic acid methyl ester

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
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0919 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0065 0.025 0.1145
Echinococcus granulosus solute carrier family 5 0.0919 1 1
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0065 0.025 0.025
Brugia malayi nuclear receptor NHR-88 0.0065 0.025 0.1145
Brugia malayi GH02984p 0.0234 0.2182 1
Schistosoma mansoni inositol transporter 0.0919 1 1
Schistosoma mansoni high-affinity choline transporter 0.0234 0.2182 0.2182
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.025 0.025
Echinococcus granulosus ecdysone induced protein 78C 0.0065 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.025 0.1145
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Echinococcus multilocularis thyroid hormone receptor alpha 0.0217 0.1987 0.1987
Brugia malayi ecdysteroid receptor 0.0065 0.025 0.1145
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0065 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0234 0.2182 1
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0083 0.0447 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0065 0.025 0.0808
Echinococcus granulosus FTZ F1 alpha 0.0065 0.025 0.025
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0065 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0065 0.025 0.1145
Brugia malayi Nuclear hormone receptor-like 1 0.0065 0.025 0.1145
Schistosoma mansoni inositol transporter 0.0919 1 1
Plasmodium falciparum cytochrome b 0.0083 0.0447 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0065 0.025 0.0808
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0065 0.025 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.025 0.1145
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.025 0.1145
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0065 0.025 0.025
Schistosoma mansoni steroid hormone receptor ad4bp 0.0065 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0065 0.025 0.1145
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.0293 0.2855 0.5
Onchocerca volvulus 0.0234 0.2182 0.7416
Brugia malayi cytochrome b 0.005 0.008 0.0367
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.0293 0.2855 0.5
Schistosoma mansoni hypothetical protein 0.0152 0.124 0.124
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.025 0.1145
Echinococcus granulosus sodium:glucose cotransporter 2 0.0919 1 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Echinococcus multilocularis solute carrier family 5 0.0919 1 1
Schistosoma mansoni sodium/solute symporter 0.0234 0.2182 0.2182
Schistosoma mansoni retinoic acid receptor RXR 0.0065 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Echinococcus granulosus cytochrome B 0.0083 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0234 0.2182 0.2182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0065 0.025 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0065 0.025 0.1145
Brugia malayi steroid hormone receptor 0.0065 0.025 0.1145
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Schistosoma mansoni nuclear hormone receptor 0.0065 0.025 0.025
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.052 0.052
Brugia malayi Sodium:solute symporter family protein 0.0234 0.2182 1
Schistosoma mansoni coup transcription factor 0.0065 0.025 0.025
Schistosoma mansoni cytochrome b 0.005 0.008 0.008
Echinococcus multilocularis FTZ F1 alpha 0.0065 0.025 0.025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.025 0.025
Schistosoma mansoni thyroid hormone receptor 0.0217 0.1987 0.1987
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0447 0.4616 0.4616
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0065 0.025 0.025
Brugia malayi photoreceptor-specific nuclear receptor 0.0065 0.025 0.1145
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Echinococcus granulosus high affinity choline transporter 1 0.0234 0.2182 0.2182
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0065 0.025 0.025
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0065 0.025 0.025
Onchocerca volvulus 0.0293 0.2855 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.025 0.025
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0065 0.025 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0065 0.025 0.0808
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.0293 0.2855 0.5
Schistosoma mansoni thyroid hormone receptor 0.0217 0.1987 0.1987
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0065 0.025 0.025
Schistosoma mansoni RAR-like nuclear receptor 0.0065 0.025 0.025
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.124 0.124
Brugia malayi Steroid receptor seven-up type 2 0.0065 0.025 0.1145
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0065 0.025 0.025
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.025 0.025
Echinococcus multilocularis high affinity choline transporter 1 0.0234 0.2182 0.2182
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0065 0.025 0.1145
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0065 0.025 0.1145
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.124 0.124
Loa Loa (eye worm) steroid hormone receptor 0.0065 0.025 0.0808
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0234 0.2182 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0065 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.025 0.1145
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0919 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0065 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0065 0.025 0.025
Plasmodium vivax cytochrome b 0.0083 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0234 0.2182 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.025 0.1145
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0065 0.025 0.1145
Echinococcus granulosus sodium:myo inositol cotransporter 0.0919 1 1
Brugia malayi nuclear hormone receptor 0.0065 0.025 0.1145
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0065 0.025 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0065 0.025 0.0808
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0065 0.025 0.025
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0065 0.025 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0065 0.025 0.0808
Schistosoma mansoni cytochrome b 0.0083 0.0447 0.0447
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0234 0.2182 0.2182

Activities

No activities found for this compound.

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.

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