Detailed information for compound 824760

Basic information

Technical information
  • TDR Targets ID: 824760
  • Name: N-(1,3-benzodioxol-5-yl)-2-[6-ethoxy-3-(4-eth ylbenzoyl)-4-oxoquinolin-1-yl]acetamide
  • MW: 498.527 | Formula: C29H26N2O6
  • H donors: 1 H acceptors: 3 LogP: 5.1 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1ccc2c(c1)OCO2)C(=O)c1ccc(cc1)CC
  • InChi: 1S/C29H26N2O6/c1-3-18-5-7-19(8-6-18)28(33)23-15-31(24-11-10-21(35-4-2)14-22(24)29(23)34)16-27(32)30-20-9-12-25-26(13-20)37-17-36-25/h5-15H,3-4,16-17H2,1-2H3,(H,30,32)
  • InChiKey: OIEGCBHCCDVLPN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzodioxol-5-yl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxo-1-quinolyl]acetamide
  • N-(1,3-benzodioxol-5-yl)-2-[6-ethoxy-3-[(4-ethylphenyl)-oxomethyl]-4-oxo-1-quinolyl]acetamide
  • N-(1,3-benzodioxol-5-yl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-keto-1-quinolyl]acetamide
  • N-(1,3-benzodioxol-5-yl)-2-[6-ethoxy-3-(4-ethylphenyl)carbonyl-4-oxo-quinolin-1-yl]ethanamide

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
Leishmania major hypothetical protein, conserved 0.0254 0.3585 0.8135
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0045 0.0061 0.0061
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0061 0.0061
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0554 0.8626 0.8626
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0061 0.0106
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0045 0.0061 0.0061
Loa Loa (eye worm) phosphatidylinositol 3 0.0302 0.4392 0.7574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0302 0.4392 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.026 0.368 0.8356
Plasmodium vivax hypothetical protein 0.0045 0.0061 0.5
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0045 0.0061 0.0061
Loa Loa (eye worm) phosphatidylinositol kinase 0.0045 0.0061 0.0106
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0168 0.2131 0.4778
Toxoplasma gondii FATC domain-containing protein 0.0165 0.2089 0.522
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0061 0.0061
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0045 0.0061 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0554 0.8626 0.8626
Schistosoma mansoni hypothetical protein 0.0102 0.1018 0.1117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0276 0.3945 0.8968
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0302 0.4392 0.4392
Trichomonas vaginalis PIKK family atypical protein kinase 0.0165 0.2089 0.4682
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.3233 0.7324
Loa Loa (eye worm) hypothetical protein 0.0045 0.0061 0.0106
Onchocerca volvulus 0.0045 0.0061 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.0276 0.3945 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0302 0.4384 0.998
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0132 0.1521 0.1521
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0281 0.4037 0.9179
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.02 0.2671 0.6026
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0061 0.0106
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0102 0.1018 0.1018
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0061 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0174 0.2233 0.5014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.4036 0.9176
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0765 0.1625
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0061 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.3233 0.7324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.3589 0.8144
Echinococcus multilocularis Zinc finger, PHD finger 0.0045 0.0061 0.0061
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0554 0.8626 1
Echinococcus multilocularis serine protein kinase ATM 0.0165 0.2089 0.2089
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0045 0.0061 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0554 0.8626 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0061 0.0061
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0061 0.0071
Trichomonas vaginalis PIKK family atypical protein kinase 0.0179 0.2323 0.5222
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0635 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.4036 0.9176
Leishmania major phosphatidylinositol 3-kinase, putative 0.0233 0.3233 0.7324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.359 0.8148
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.359 0.8148
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0302 0.4392 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0061 0.0071
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0045 0.0061 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0165 0.2089 0.2422
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0302 0.4392 1
Echinococcus granulosus serine protein kinase ATM 0.0165 0.2089 0.2089
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0554 0.8626 1
Trypanosoma cruzi hypothetical protein, conserved 0.0209 0.2829 0.3231
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0165 0.2089 0.2367
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.3589 0.8144
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0045 0.0061 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.359 0.8148
Mycobacterium leprae conserved hypothetical protein 0.0045 0.0061 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.3589 0.8144
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.012 0.1333 0.1485
Loa Loa (eye worm) hypothetical protein 0.0147 0.1774 0.3059
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0302 0.4392 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0132 0.1521 0.1704
Onchocerca volvulus 0.0045 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.0456 0.0787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0276 0.3945 0.8968
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0079 0.0629 0.0663
Trichomonas vaginalis conserved hypothetical protein 0.0147 0.1774 0.3954
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0061 0.0061
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0302 0.4392 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0302 0.4392 0.5057
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0045 0.0061 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0276 0.3945 0.8968
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0061 0.0071
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0061 0.0071
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0087 0.0773 0.1644
Trichomonas vaginalis PIKK family atypical protein kinase 0.0276 0.3945 0.8968
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.1018 0.2209
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0061 0.0106
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0281 0.4037 0.9179
Entamoeba histolytica protein kinase rad3, putative 0.0132 0.1521 0.337
Loa Loa (eye worm) hypothetical protein 0.0045 0.0061 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0302 0.4392 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0132 0.1521 0.1763
Trichomonas vaginalis PIKK family atypical protein kinase 0.0194 0.2576 0.5806
Brugia malayi Protein kinase domain containing protein 0.0386 0.5799 0.6723
Trichomonas vaginalis PIKK family atypical protein kinase 0.0174 0.2233 0.5014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0417 0.0821
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0045 0.0061 0.0061
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0045 0.0061 0.0061
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0302 0.4392 0.5057
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0386 0.5799 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0302 0.4392 0.4392
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.1521 0.337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0302 0.4392 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0132 0.1521 0.1521
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.4036 0.9176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.4036 0.9176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0276 0.3945 0.8968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.4036 0.9176
Trypanosoma cruzi target of rapamycin kinase 3 0.0281 0.4037 0.4642
Loa Loa (eye worm) phosphatidylinositol 3 0.0302 0.4384 0.7559
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0045 0.0061 0.0106
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0045 0.0061 0.5
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0302 0.4384 0.998
Schistosoma mansoni fkbp-rapamycin associated protein 0.0132 0.1521 0.1704
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.359 0.8148
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0064 0.0003
Giardia lamblia GTOR 0.0302 0.4392 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0045 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0102 0.1018 0.1756
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0165 0.2089 0.4682
Loa Loa (eye worm) hypothetical protein 0.0068 0.0456 0.0787
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0045 0.0061 0.0071
Trichomonas vaginalis PIKK family atypical protein kinase 0.02 0.2671 0.6026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0302 0.4384 0.998
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0302 0.4392 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0061 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.026 0.368 0.8356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0174 0.2233 0.5014
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0233 0.3233 0.7324
Loa Loa (eye worm) hypothetical protein 0.012 0.1333 0.2299
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0061 0.0071
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0061 0.0071
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0045 0.0061 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0554 0.8626 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0102 0.1018 0.1018
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0064 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.3233 0.7324
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0302 0.4392 0.5092
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0165 0.2089 0.2367
Echinococcus multilocularis 0.0045 0.0061 0.0061
Leishmania major phosphatidylinositol kinase related protein, putative 0.0079 0.0629 0.1312
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0061 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0302 0.4392 0.5057
Loa Loa (eye worm) hypothetical protein 0.0132 0.1521 0.2622
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0045 0.0061 0.5
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0045 0.0061 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0087 0.0765 0.1625
Trichomonas vaginalis PIKK family atypical protein kinase 0.0201 0.268 0.6046
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0147 0.1774 0.4409
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.3233 0.7324
Entamoeba histolytica hypothetical protein 0.0165 0.2089 0.4682
Schistosoma mansoni serine/threonine protein kinase 0.0386 0.5799 0.67
Trichomonas vaginalis PIKK family atypical protein kinase 0.0276 0.3945 0.8968
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0302 0.4392 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0276 0.3945 0.8968
Brugia malayi FAT domain containing protein 0.0102 0.1018 0.118

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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