Detailed information for compound 839209

Basic information

Technical information
  • TDR Targets ID: 839209
  • Name: (4E)-4-[(4-hexoxyphenyl)methylidene]-3-phenyl -1,2-oxazol-5-one
  • MW: 349.423 | Formula: C22H23NO3
  • H donors: 0 H acceptors: 1 LogP: 6.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCOc1ccc(cc1)C=C1C(=O)ON=C1c1ccccc1
  • InChi: 1S/C22H23NO3/c1-2-3-4-8-15-25-19-13-11-17(12-14-19)16-20-21(23-26-22(20)24)18-9-6-5-7-10-18/h5-7,9-14,16H,2-4,8,15H2,1H3/b20-16+
  • InChiKey: VRNYFWPSRRSINH-CAPFRKAQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4E)-4-[(4-hexoxyphenyl)methylene]-3-phenyl-isoxazol-5-one
  • (4E)-4-[(4-hexoxyphenyl)methylene]-3-phenyl-5-isoxazolone
  • (4E)-4-(4-hexoxybenzylidene)-3-phenyl-isoxazol-5-one
  • ZINC02206674
  • BIM-0020282.P001
  • STOCK3S-51921

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
Entamoeba histolytica protein kinase, putative 0.004 0.1596 0.2694
Schistosoma mansoni atypical protein kinase C 0.0014 0.018 0.018
Schistosoma mansoni serine/threonine protein kinase 0.0193 1 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.5435 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0037 0.1467 0.1467
Schistosoma mansoni serine/threonine protein kinase 0.011 0.5435 0.5435
Leishmania major myosin heavy chain kinase a-like protein 0.0071 0.3321 0.5659
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0141 0.7139 0.7515
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.018 0.018
Entamoeba histolytica protein kinase, putative 0.0037 0.1467 0.2449
Loa Loa (eye worm) hypothetical protein 0.0071 0.3321 0.3321
Trichomonas vaginalis CAMK family protein kinase 0.011 0.5435 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0037 0.1467 0.1467
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0016 0.0016
Echinococcus multilocularis eukaryotic elongation factor 2 kinase 0.0071 0.3321 0.3496
Schistosoma mansoni tyrosine kinase 0.0141 0.7139 0.7139
Echinococcus granulosus NDR protein kinase 0.0014 0.018 0.019
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0014 0.018 0.018
Toxoplasma gondii AGC kinase 0.0037 0.1467 0.5
Trichomonas vaginalis AGC family protein kinase 0.004 0.1596 0.2819
Trichomonas vaginalis AGC family protein kinase 0.004 0.1596 0.2819
Brugia malayi Protein kinase domain containing protein 0.004 0.1596 0.1596
Echinococcus multilocularis serine threonine protein kinase 0.0014 0.018 0.019
Brugia malayi Hr1 repeat family protein 0.0014 0.018 0.018
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0184 0.9501 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0016
Trichomonas vaginalis AGC family protein kinase 0.0014 0.018 0.0171
Entamoeba histolytica hypothetical protein 0.0021 0.0567 0.0735
Loa Loa (eye worm) AGC/PKN protein kinase 0.0014 0.018 0.018
Trichomonas vaginalis CAMK family protein kinase 0.011 0.5435 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0028 0.0939 0.0279
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0025 0.0811 0.0853
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.018 0.018
Loa Loa (eye worm) AGC/NDR protein kinase 0.0014 0.018 0.018
Echinococcus multilocularis serine:threonine protein kinase 38 0.0014 0.018 0.019
Trypanosoma cruzi myosin heavy chain kinase A, putative 0.0071 0.3321 0.543
Loa Loa (eye worm) hypothetical protein 0.0021 0.0584 0.0584
Echinococcus multilocularis rac serine:threonine kinase 0.0028 0.0939 0.0989
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.018 0.018
Trypanosoma brucei polo-like protein kinase 0.011 0.5435 1
Trichomonas vaginalis AGC family protein kinase 0.0016 0.0309 0.0412
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0016
Echinococcus granulosus nervana 2 0.0024 0.0719 0.0757
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0014 0.018 0.018
Trichomonas vaginalis AGC family protein kinase 0.004 0.1596 0.2819
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0016
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.5435 1
Echinococcus multilocularis nervana 2 0.0024 0.0719 0.0757
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.9501 0.9501
Echinococcus granulosus Glutaredoxin protein 5 0.0024 0.0719 0.0757
Trichomonas vaginalis CAMK family protein kinase 0.011 0.5435 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.5435 1
Trypanosoma brucei myosin heavy chain kinase A, putative 0.0071 0.3321 0.4495
Trypanosoma brucei myosin heavy chain kinase A, putative 0.0071 0.3321 0.4495
Brugia malayi Protein kinase domain containing protein 0.0184 0.9501 0.9501
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.5435 0.572
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0024 0.0719 0.0757
Entamoeba histolytica hypothetical protein, conserved 0.0021 0.0567 0.0735
Loa Loa (eye worm) AGC/AKT protein kinase 0.004 0.1596 0.1596
Loa Loa (eye worm) hypothetical protein 0.0014 0.018 0.018
Echinococcus multilocularis protein kinase c epsilon type 0.0014 0.018 0.019
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0184 0.9501 0.9501
Entamoeba histolytica hypothetical protein 0.0021 0.0567 0.0735
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0016 0.0016
Brugia malayi Immunoglobulin I-set domain containing protein 0.0148 0.7517 0.7517
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0184 0.9501 0.9501
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0193 1 1
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0184 0.9501 0.9501
Trichomonas vaginalis AGC family protein kinase 0.004 0.1596 0.2819
Brugia malayi hypothetical protein 0.0011 0.0016 0.0016
Schistosoma mansoni cell adhesion molecule 0.0014 0.0207 0.0207
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0014 0.018 0.019
Schistosoma mansoni serine/threonine kinase 0.0014 0.018 0.018
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0016 0.0016
Echinococcus multilocularis serine:threonine protein kinase N2 0.0014 0.018 0.019
Schistosoma mansoni kinase 0.0056 0.2518 0.2518
Schistosoma mansoni tyrosine kinase 0.0013 0.0134 0.0134
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0012 0.0092 0.0092
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.5435 0.5435
Loa Loa (eye worm) hypothetical protein 0.0021 0.0584 0.0584
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0014 0.018 0.019
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0184 0.9501 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.5435 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0016
Echinococcus granulosus fibroblast growth factor receptor 4 0.0141 0.7139 0.7515
Echinococcus granulosus protein kinase c iota type 0.0014 0.018 0.019
Echinococcus multilocularis Glutaredoxin protein 5 0.0024 0.0719 0.0757
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0141 0.7139 0.7515
Trypanosoma cruzi myosin heavy chain kinase A, putative 0.0071 0.3321 0.543
Entamoeba histolytica protein kinase 2, putative 0.0025 0.0811 0.12
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0014 0.018 0.019
Echinococcus granulosus serine:threonine protein kinase N2 0.0014 0.018 0.019
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.018 0.018
Echinococcus granulosus protein kinase c epsilon type 0.0014 0.018 0.019
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.5435 0.5435
Entamoeba histolytica hypothetical protein 0.0021 0.0567 0.0735
Echinococcus granulosus nervana 2 0.0024 0.0719 0.0757
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.244 0.4399
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.5435 0.572
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0025 0.0811 0.5
Echinococcus granulosus protein kinase C gamma type 0.0014 0.018 0.019
Schistosoma mansoni vesicular amine transporter 0.0011 0.0016 0.0016
Echinococcus multilocularis neuroglian 0.0018 0.0394 0.0414
Brugia malayi Immunoglobulin I-set domain containing protein 0.0175 0.9005 0.9005
Brugia malayi Protein kinase domain containing protein 0.0014 0.018 0.018
Entamoeba histolytica hypothetical protein, conserved 0.0021 0.0567 0.0735
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0014 0.018 0.018
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.018 0.018
Brugia malayi Protein kinase domain containing protein 0.0014 0.018 0.018
Onchocerca volvulus Tyrosine kinase homolog 0.0168 0.8608 0.9061
Echinococcus multilocularis Immunoglobulin 0.0011 0.0016 0.0017
Echinococcus granulosus Immunoglobulin 0.0011 0.0016 0.0017
Schistosoma mansoni elongation factor 2 kinase 0.0021 0.0567 0.0567
Echinococcus granulosus eukaryotic elongation factor 2 kinase 0.0071 0.3321 0.3496
Echinococcus granulosus neuroglian 0.0018 0.0394 0.0414
Echinococcus multilocularis nervana 2 0.0024 0.0719 0.0757
Echinococcus multilocularis Immunoglobulin 0.0011 0.0016 0.0017
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0025 0.0811 0.0853
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0024 0.0719 0.0757
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0175 0.9005 0.9005
Entamoeba histolytica hypothetical protein 0.0021 0.0567 0.0735
Trichomonas vaginalis AGC family protein kinase 0.004 0.1596 0.2819
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.5435 1
Echinococcus granulosus twitchin 0.0019 0.0485 0.0511
Schistosoma mansoni elongation factor 2 kinase 0.0021 0.0567 0.0567
Onchocerca volvulus 0.0159 0.8097 0.8522
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.5435 1
Entamoeba histolytica protein kinase, putative 0.0021 0.0567 0.0735
Echinococcus multilocularis protein kinase c iota type 0.0014 0.018 0.019
Entamoeba histolytica PH domain containing protein kinase, putative 0.0028 0.0939 0.1445
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0016 0.0016
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0014 0.018 0.019
Entamoeba histolytica protein kinase, putative 0.004 0.1596 0.2694
Entamoeba histolytica hypothetical protein 0.0021 0.0567 0.0735
Trichomonas vaginalis AGC family protein kinase 0.0014 0.018 0.0171
Schistosoma mansoni serine/threonine-protein kinase 0.0028 0.0939 0.0939
Echinococcus multilocularis serine:threonine protein kinase N2 0.0014 0.018 0.019
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0014 0.018 0.019
Echinococcus granulosus serine/threonine protein kinase 0.0028 0.0939 0.0989
Entamoeba histolytica hypothetical protein, conserved 0.0021 0.0567 0.0735
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.018 0.018
Echinococcus multilocularis roundabout 2 0.0021 0.0584 0.0615
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0014 0.018 0.018
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0016 0.0017
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.5435 0.572
Schistosoma mansoni nephrin 0.0018 0.0394 0.0394
Brugia malayi MHCK/EF2 kinase domain family protein 0.0071 0.3321 0.3321
Loa Loa (eye worm) TK protein kinase 0.0148 0.7517 0.7517
Brugia malayi protein kinase C II. 0.0014 0.018 0.018
Entamoeba histolytica protein kinase, putative 0.0021 0.0567 0.0735
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0016
Trichomonas vaginalis CAMK family protein kinase 0.011 0.5435 1
Trichomonas vaginalis AGC family protein kinase 0.0014 0.018 0.0171
Trichomonas vaginalis AGC family protein kinase 0.004 0.1596 0.2819
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0016
Trypanosoma cruzi Protein kinase B 0.0028 0.0939 0.0279
Giardia lamblia Kinase, PLK 0.011 0.5435 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0014 0.018 0.019
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0025 0.0811 0.5
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0014 0.018 0.019
Entamoeba histolytica hypothetical protein 0.0021 0.0567 0.0735
Trichomonas vaginalis AGC family protein kinase 0.004 0.1596 0.2819
Schistosoma mansoni serine/threonine-protein kinase 0.0028 0.0939 0.0939
Schistosoma mansoni eukaryotic elongation factor 2 kinase (eef-2 kinase) 0.0071 0.3321 0.3321
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0141 0.7139 0.7515
Entamoeba histolytica elongation factor-2 kinase, putative 0.0021 0.0567 0.0735
Entamoeba histolytica hypothetical protein 0.0021 0.0567 0.0735
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0184 0.9501 1
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.244 0.4399
Echinococcus granulosus Protein kinase C brain isozyme 0.0014 0.018 0.019
Entamoeba histolytica hypothetical protein 0.0021 0.0567 0.0735
Echinococcus granulosus serine threonine protein kinase nrc 0.0025 0.0811 0.0853
Echinococcus granulosus roundabout 2 0.0021 0.0584 0.0615
Echinococcus granulosus defective proboscis extension response 0.0011 0.0016 0.0017
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0014 0.0207 0.0218
Entamoeba histolytica PH domain containing protein kinase, putative 0.0028 0.0939 0.1445
Trichomonas vaginalis CAMK family protein kinase 0.011 0.5435 1
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.018 0.018

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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