Detailed information for compound 1438543

Basic information

Technical information
  • TDR Targets ID: 1438543
  • Name: N-(4-ethoxyphenyl)-2-fluoro-5-morpholin-4-yls ulfonylbenzamide
  • MW: 408.444 | Formula: C19H21FN2O5S
  • H donors: 1 H acceptors: 3 LogP: 1.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C19H21FN2O5S/c1-2-27-15-5-3-14(4-6-15)21-19(23)17-13-16(7-8-18(17)20)28(24,25)22-9-11-26-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,21,23)
  • InChiKey: ADGWVZRGQKDDTF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-ethoxyphenyl)-2-fluoro-5-morpholinosulfonyl-benzamide
  • N-(4-ethoxyphenyl)-2-fluoro-5-morpholinosulfonylbenzamide
  • N-(4-ethoxyphenyl)-2-fluoro-5-morpholin-4-ylsulfonyl-benzamide
  • ZINC03022828
  • K781-7361
  • NCGC00139467-01
  • Oprea1_676346

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.1035 0.3083 0.7685
Schistosoma mansoni fkbp-rapamycin associated protein 0.0494 0.0941 0.0941
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0494 0.0941 0.2346
Trichomonas vaginalis PIKK family atypical protein kinase 0.1113 0.3393 0.8456
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0448 0.0758 0.0758
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0339 0.0326 0.0812
Trichomonas vaginalis PIKK family atypical protein kinase 0.1015 0.3005 0.7491
Trichomonas vaginalis PIKK family atypical protein kinase 0.1015 0.3005 0.7491
Echinococcus granulosus tumor protein p63 0.0408 0.06 0.06
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0494 0.0941 0.0941
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0635 0.1499 0.1499
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0494 0.0941 0.0941
Toxoplasma gondii target of rapamycin (TOR), putative 0.1015 0.3005 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1113 0.3393 0.8456
Loa Loa (eye worm) hypothetical protein 0.041 0.0608 0.1357
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1113 0.3393 0.3393
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0635 0.1499 0.1499
Echinococcus multilocularis serine protein kinase ATM 0.0494 0.0941 0.0941
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0626 0.1464 0.365
Loa Loa (eye worm) hypothetical protein 0.0365 0.0431 0.0961
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1113 0.3393 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0406 0.0592 0.1475
Trichomonas vaginalis PIKK family atypical protein kinase 0.0937 0.2696 0.672
Toxoplasma gondii FATC domain-containing protein 0.0494 0.0941 0.3132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0937 0.2696 0.672
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0893 0.252 0.6282
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2781 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1113 0.3393 0.8456
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0664 0.1613 0.402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0937 0.2697 0.6723
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0644 0.1537 0.1537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0937 0.2697 0.6723
Trichomonas vaginalis PIKK family atypical protein kinase 0.0937 0.2697 0.6723
Trichomonas vaginalis PIKK family atypical protein kinase 0.1035 0.3083 0.7685
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0893 0.252 0.6282
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.1559 0.3885
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0365 0.0431 0.0431
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1113 0.3393 0.3393
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0365 0.0431 0.0431
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0406 0.0592 0.1475
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0406 0.0592 0.0592
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2781 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0859 0.2388 0.5952
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2781 1 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.0217 0.0484
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0904 0.2565 0.7561
Schistosoma mansoni hypothetical protein 0.0365 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0724 0.185 0.4612
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1537 0.5073 0.5073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0859 0.2388 0.5952
Loa Loa (eye worm) hypothetical protein 0.0494 0.0941 0.21
Trichomonas vaginalis PIKK family atypical protein kinase 0.1035 0.3083 0.7685
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0494 0.0941 0.0941
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0893 0.252 0.252
Echinococcus multilocularis tumor protein p63 0.0408 0.06 0.06
Trichomonas vaginalis PIKK family atypical protein kinase 0.0859 0.2388 0.5952
Trichomonas vaginalis PIKK family atypical protein kinase 0.1015 0.3005 0.7491
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0893 0.252 0.6282
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.1559 0.3885
Brugia malayi FAT domain containing protein 0.0365 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0548 0.1155 0.2578
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1113 0.3393 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1015 0.3005 0.7491
Trichomonas vaginalis PIKK family atypical protein kinase 0.067 0.1637 0.4079
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0743 0.1929 0.5685
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1113 0.3393 0.8456
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0494 0.0941 0.0941
Trichomonas vaginalis PIKK family atypical protein kinase 0.1015 0.3005 0.7491
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2781 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0365 0.0431 0.1074
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0256 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0957 0.2775 0.6918
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1113 0.3393 0.3393
Loa Loa (eye worm) hypothetical protein 0.041 0.0608 0.1357
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0406 0.0592 0.1745
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1537 0.5073 0.5073
Loa Loa (eye worm) hypothetical protein 0.0258 0.0005 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0261 0.0016 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0904 0.2565 0.6394
Trichomonas vaginalis PIKK family atypical protein kinase 0.1113 0.3393 0.8456
Trichomonas vaginalis PIKK family atypical protein kinase 0.1015 0.3005 0.7491
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1537 0.5073 0.5073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0494 0.0941 0.2346
Trichomonas vaginalis PIKK family atypical protein kinase 0.1015 0.3005 0.7491
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1113 0.3393 0.3393
Trichomonas vaginalis PIKK family atypical protein kinase 0.0859 0.2388 0.5952
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.1559 0.3885
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0893 0.252 0.7429
Loa Loa (eye worm) hypothetical protein 0.0635 0.1499 0.3346
Trichomonas vaginalis conserved hypothetical protein 0.0548 0.1155 0.2879
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1113 0.3393 0.8456
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0494 0.0941 0.0941
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0256 0 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0664 0.1613 0.402
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0406 0.0592 0.1745
Entamoeba histolytica hypothetical protein 0.0494 0.0941 0.2774
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0406 0.0592 0.1475
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0494 0.0941 0.0941
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1269 0.4012 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0893 0.252 0.252
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0311 0.0217 0.0217
Trichomonas vaginalis conserved hypothetical protein 0.0311 0.0217 0.0541
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2781 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0406 0.0592 0.0592
Trichomonas vaginalis PIKK family atypical protein kinase 0.0937 0.2696 0.672
Trichomonas vaginalis PIKK family atypical protein kinase 0.0494 0.0941 0.2346
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0893 0.252 0.252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0748 0.1946 0.485
Giardia lamblia GTOR 0.1113 0.3393 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1269 0.4012 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0859 0.2388 0.5952
Entamoeba histolytica protein kinase rad3, putative 0.0494 0.0941 0.2774
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.071 0.1796 0.5295
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0494 0.0941 0.0941
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0448 0.0758 0.0758
Loa Loa (eye worm) phosphatidylinositol 3 0.1113 0.3393 0.7571
Leishmania major hypothetical protein, conserved 0.0277 0.0081 0.0201
Trichomonas vaginalis PIKK family atypical protein kinase 0.0937 0.2697 0.6723
Trichomonas vaginalis PIKK family atypical protein kinase 0.0311 0.0217 0.0541
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0548 0.1155 0.3843
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1113 0.3393 0.3393
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1035 0.3085 0.7688
Trichomonas vaginalis PIKK family atypical protein kinase 0.1035 0.3083 0.7685
Trichomonas vaginalis PIKK family atypical protein kinase 0.0957 0.2775 0.6918
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1035 0.3085 0.7688
Echinococcus granulosus serine protein kinase ATM 0.0494 0.0941 0.0941
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1113 0.3393 0.3393
Trichomonas vaginalis PIKK family atypical protein kinase 0.1035 0.3083 0.7685
Trypanosoma cruzi target of rapamycin kinase 3 0.1035 0.3085 0.3085
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0635 0.1499 0.1499
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1113 0.3393 0.8456
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0406 0.0592 0.0592
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0406 0.0592 0.1475
Loa Loa (eye worm) phosphatidylinositol 3 0.1269 0.4012 0.8953
Trichomonas vaginalis PIKK family atypical protein kinase 0.1269 0.4012 1
Loa Loa (eye worm) phosphatidylinositol 3 0.1388 0.4481 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0859 0.2388 0.5952
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0514 0.1021 0.2331
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0486 0.0908 0.2675
Entamoeba histolytica hypothetical protein 0.0743 0.1929 0.5685

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (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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