Detailed information for compound 1281248

Basic information

Technical information
  • TDR Targets ID: 1281248
  • Name: N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitropheny l)prop-2-enamide
  • MW: 342.346 | Formula: C18H18N2O5
  • H donors: 1 H acceptors: 3 LogP: 3.09 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1OCCNC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C18H18N2O5/c1-24-16-4-2-3-5-17(16)25-13-12-19-18(21)11-8-14-6-9-15(10-7-14)20(22)23/h2-11H,12-13H2,1H3,(H,19,21)/b11-8+
  • InChiKey: NLLDMLGXSOHBPG-DHZHZOJOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
  • N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)acrylamide
  • (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)acrylamide
  • (2E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)acrylamide
  • MLS000586100
  • SMR000204463
  • N-[2-(2-Methoxy-phenoxy)-ethyl]-3-(4-nitro-phenyl)-acrylamide
  • A2702/0114919
  • ZINC03073500

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.161 0.3675 0.3675
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1705 0.464
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0536 0.0951 0.2589
Giardia lamblia GTOR 0.0836 0.1711 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Loa Loa (eye worm) hypothetical protein 0.0525 0.0924 0.4337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Loa Loa (eye worm) hypothetical protein 0.018 0.005 0.0233
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0471 0.0787 0.0787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Echinococcus multilocularis sodium channel protein 0.0187 0.0067 0.0067
Brugia malayi Muscleblind-like protein 0.018 0.005 0.0135
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0697 0.1359 0.3698
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4106 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0836 0.1711 0.4656
Loa Loa (eye worm) hypothetical protein 0.0165 0.0011 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0525 0.0924 0.4337
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0161 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0836 0.1711 0.4656
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0836 0.1711 0.4826
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0364 0.0516 0.0516
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0471 0.0787 0.3696
Toxoplasma gondii target of rapamycin (TOR), putative 0.0836 0.1711 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0386 0.0572 0.1613
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0091 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0787 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0787 0.3696
Schistosoma mansoni alpha-glucosidase 0.0169 0.0022 0.0059
Echinococcus granulosus geminin 0.0205 0.0111 0.0111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0471 0.0787 0.2142
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0836 0.1711 0.1711
Trichomonas vaginalis conserved hypothetical protein 0.0311 0.038 0.1782
Onchocerca volvulus 0.0161 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0091 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Echinococcus granulosus serine protein kinase ATM 0.0697 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0536 0.0951 0.4466
Loa Loa (eye worm) hypothetical protein 0.0364 0.0516 0.2423
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0836 0.1711 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0161 0 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.161 0.3675 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.0011 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0924 0.4337
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0836 0.1711 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0787 0.3696
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0836 0.1711 0.4656
Mycobacterium leprae conserved hypothetical protein 0.0161 0 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.161 0.3675 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0161 0 0.5
Trypanosoma cruzi target of rapamycin kinase 3 0.0836 0.1711 0.4656
Plasmodium vivax hypothetical protein 0.0161 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0836 0.1711 0.8033
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0836 0.1711 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0091 0.0248
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0187 0.0067 0.0188
Schistosoma mansoni alpha-glucosidase 0.0169 0.0022 0.0059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.161 0.3675 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0637 0.1206 0.5663
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.161 0.3675 0.3675
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0161 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0697 0.1359 0.638
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Schistosoma mansoni hypothetical protein 0.0364 0.0516 0.1404
Entamoeba histolytica hypothetical protein 0.0697 0.1359 0.7942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0386 0.0572 0.1556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0187 0.0067 0.0067
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0364 0.0516 0.0516
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1705 0.1705
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1001 0.213 0.6008
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0161 0 0.5
Echinococcus granulosus sodium channel protein 0.0187 0.0067 0.0067
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0836 0.1711 0.8033
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1705 0.1705
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0697 0.1359 0.3698
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0471 0.0787 0.2142
Onchocerca volvulus 0.0161 0 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.161 0.3675 1
Toxoplasma gondii FATC domain-containing protein 0.0697 0.1359 0.7942
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0525 0.0924 0.4337
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0471 0.0787 0.0787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Leishmania major hypothetical protein, conserved 0.1559 0.3545 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0836 0.1711 0.8033
Trichomonas vaginalis conserved hypothetical protein 0.0364 0.0516 0.2423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Leishmania major phosphatidylinositol 3-kinase, putative 0.0836 0.1711 0.4826
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0525 0.0924 0.5399
Echinococcus multilocularis muscleblind protein 1 0.018 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.018 0.005 0.0233
Schistosoma mansoni hypothetical protein 0.0205 0.0111 0.0302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0787 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0311 0.038 0.1782
Plasmodium vivax hypothetical protein, conserved 0.0161 0 0.5
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0836 0.1711 0.1711
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0787 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0787 0.3696
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0697 0.1359 0.3698
Trypanosoma cruzi hypothetical protein, conserved 0.1398 0.3137 0.8538
Schistosoma mansoni fkbp-rapamycin associated protein 0.0471 0.0787 0.2142
Echinococcus multilocularis geminin 0.0205 0.0111 0.0111
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0697 0.1359 0.638
Echinococcus granulosus muscleblind protein 0.018 0.005 0.005
Echinococcus multilocularis muscleblind protein 0.018 0.005 0.005
Loa Loa (eye worm) phosphatidylinositol 3 0.1001 0.213 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1001 0.213 1
Brugia malayi FAT domain containing protein 0.0364 0.0516 0.1404
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0637 0.1206 0.705
Schistosoma mansoni hypothetical protein 0.0205 0.0111 0.0302
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0091 0.0428
Trichomonas vaginalis PIKK family atypical protein kinase 0.1001 0.213 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Echinococcus multilocularis serine protein kinase ATM 0.0697 0.1359 0.1359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0836 0.1711 0.8033
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0161 0 0.5
Entamoeba histolytica protein kinase rad3, putative 0.0471 0.0787 0.4601
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0836 0.1711 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0161 0 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0836 0.1711 0.4656

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0596 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.3078 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 (binding) = 10 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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.

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