TDR Targets

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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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

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

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 788156