Detailed information for compound 788156

Basic information

Technical information
  • TDR Targets ID: 788156
  • Name: ethyl 8-methoxy-4-(3-methoxypropylamino)quino line-3-carboxylate
  • MW: 318.368 | Formula: C17H22N2O4
  • H donors: 1 H acceptors: 2 LogP: 3.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNc1c(cnc2c1cccc2OC)C(=O)OCC
  • InChi: 1S/C17H22N2O4/c1-4-23-17(20)13-11-19-16-12(7-5-8-14(16)22-3)15(13)18-9-6-10-21-2/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,18,19)
  • InChiKey: XTQGJXHPUNFSIE-UHFFFAOYSA-N  

Network

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Synonyms

  • 8-methoxy-4-(3-methoxypropylamino)-3-quinolinecarboxylic acid ethyl ester
  • 8-methoxy-4-(3-methoxypropylamino)quinoline-3-carboxylic acid ethyl ester
  • EU-0087181

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
Brugia malayi hypothetical protein 0.0011 0.017 0.0203
Loa Loa (eye worm) hypothetical protein 0.0118 0.2826 1
Loa Loa (eye worm) glycosyl hydrolase family 18 protein 0.0011 0.017 0.0193
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0193
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0118 0.2826 0.2772
Onchocerca volvulus Putative endochitinase 0.0074 0.1743 0.5995
Loa Loa (eye worm) chitin binding Peritrophin-A domain-containing protein 0.0009 0.0121 0.0011
Echinococcus multilocularis Glycoside hydrolase, chitinase domain containing protein 1 0.0011 0.017 0.0096
Schistosoma mansoni chitinase 0.0011 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0009 0.0121 0.0011
Trichomonas vaginalis chitinase, putative 0.0011 0.017 1
Schistosoma mansoni hypothetical protein 0.0408 1 1
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0009 0.0121 0.0021
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0608 0.1809
Loa Loa (eye worm) hypothetical protein 0.0009 0.0121 0.0011
Echinococcus multilocularis dnaJ subfamily B 0.0408 1 1
Onchocerca volvulus Putative endochitinase 0.0083 0.1965 0.6817
Onchocerca volvulus Putative chitinase 0.0011 0.017 0.0182
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0193
Echinococcus granulosus Glycoside hydrolase chitinase domain containing protein 1 0.0011 0.017 0.0096
Loa Loa (eye worm) hypothetical protein 0.0064 0.1471 0.4996
Loa Loa (eye worm) hypothetical protein 0.0009 0.0121 0.0011
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Onchocerca volvulus Putative endochitinase 0.0011 0.017 0.0182
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1403 0.1403
Onchocerca volvulus Putative endochitinase 0.0074 0.1743 0.5995
Loa Loa (eye worm) chitinase I 0.0074 0.1743 0.5999
Echinococcus granulosus cpg binding protein 0.003 0.0648 0.0578
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.1471 1
Echinococcus multilocularis cpg binding protein 0.003 0.0648 0.0578
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0118 0.2826 1
Brugia malayi endochitinase 0.0074 0.1743 0.6003
Loa Loa (eye worm) hypothetical protein 0.0009 0.0121 0.0011
Brugia malayi endochitinase 0.0083 0.1965 0.6823
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.1529 0.5209
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1529 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0842 0.0773
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.1529 0.8639
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0842 0.0773
Loa Loa (eye worm) hypothetical protein 0.0118 0.2826 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.1529 0.1465
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Loa Loa (eye worm) chitin binding Peritrophin-A domain-containing protein 0.0009 0.0121 0.0011
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.1529 0.5214
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.1529 0.1529
Entamoeba histolytica chitinase, putative 0.0074 0.1743 1
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Onchocerca volvulus Putative endochitinase 0.0083 0.1965 0.6817
Brugia malayi Endochitinase 0.0011 0.017 0.0203
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Onchocerca volvulus Putative endochitinase 0.0083 0.1965 0.6817
Loa Loa (eye worm) hypothetical protein 0.0009 0.0121 0.0011
Schistosoma mansoni hypothetical protein 0.0118 0.2826 0.2826
Plasmodium vivax hypothetical protein, conserved 0.0118 0.2826 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0121 0.0011
Brugia malayi Glycosyl hydrolases family 18 protein 0.0011 0.017 0.0203
Onchocerca volvulus 0.0118 0.2826 1
Onchocerca volvulus 0.0118 0.2826 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0608 0.1817
Loa Loa (eye worm) cuticular endochitinase 0.0074 0.1743 0.5999
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0009 0.0121 0.0021
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0118 0.2826 0.2772
Loa Loa (eye worm) hypothetical protein 0.0009 0.0121 0.0011
Brugia malayi hypothetical protein 0.0011 0.017 0.0203
Leishmania major chitinase 0.0074 0.1743 1
Toxoplasma gondii hypothetical protein 0.0118 0.2826 1
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0009 0.0121 0.0021
Plasmodium falciparum conserved protein, unknown function 0.0118 0.2826 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1529 0.5
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.1471 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1529 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0121 0.0011
Onchocerca volvulus 0.0029 0.0608 0.18
Mycobacterium tuberculosis Possible chitinase 0.0064 0.1471 0.5
Brugia malayi Glycosyl hydrolases family 18 protein 0.0011 0.017 0.0203
Brugia malayi Endochitinase 0.0083 0.1965 0.6823
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Loa Loa (eye worm) microfilarial chitinase 0.0073 0.1693 0.5817
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0009 0.0121 0.0021
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.1529 0.1465

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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