Detailed information for compound 654569

Basic information

Technical information
  • TDR Targets ID: 654569
  • Name: ethyl 4-[[2-(4-methylphenyl)quinoline-4-carbo nyl]amino]benzoate
  • MW: 410.464 | Formula: C26H22N2O3
  • H donors: 1 H acceptors: 3 LogP: 5.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C
  • InChi: 1S/C26H22N2O3/c1-3-31-26(30)19-12-14-20(15-13-19)27-25(29)22-16-24(18-10-8-17(2)9-11-18)28-23-7-5-4-6-21(22)23/h4-16H,3H2,1-2H3,(H,27,29)
  • InChiKey: DGPBQSZCCVYNRA-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[[[2-(4-methylphenyl)-4-quinolyl]-oxomethyl]amino]benzoic acid ethyl ester
  • 4-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid ethyl ester
  • ethyl 4-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]benzoate
  • Oprea1_425472
  • STK269140
  • ZINC04155934

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
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.3128 0.9415
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.1243 0.3975
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3128 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.1429 0.1359
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.3128 0.5
Loa Loa (eye worm) hypothetical protein 0.0146 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.3128 0.9415
Loa Loa (eye worm) hypothetical protein 0.0068 0.3888 0.3839
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3128 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.3128 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0226 0.0721
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.2983 0.9537
Schistosoma mansoni jumonji domain containing protein 0.0057 0.2983 0.8978
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3128 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.3051 0.9752
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.3128 0.9999
Brugia malayi jmjC domain containing protein 0.0057 0.2983 0.2686
Loa Loa (eye worm) hypothetical protein 0.0041 0.1754 0.1687
Onchocerca volvulus 0.0146 1 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.3128 0.9414
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.3128 0.3073
Brugia malayi Bromodomain containing protein 0.0072 0.4214 0.3969
Schistosoma mansoni hypothetical protein 0.002 0.008 0.0242
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.3051 0.9751
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.3128 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0226 0.0721
Brugia malayi jmjC domain containing protein 0.0059 0.3128 0.2838
Loa Loa (eye worm) hypothetical protein 0.0039 0.1609 0.1541
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.3128 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.1243 0.3975
Schistosoma mansoni bromodomain containing protein 0.0061 0.3323 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0226 0.0679
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.3128 0.5
Brugia malayi Bromodomain containing protein 0.0037 0.1423 0.1061
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.2983 0.9537
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.3128 0.9414
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.2983 0.9536

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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