TDR Targets

Basic information

Technical information

TDR Targets ID: 781749
Name: 2-[(4-ethylphenyl)amino]-N-(3-methoxypropyl)q uinoline-4-carboxamide
MW: 363.453 | Formula: C22H25N3O2
H donors: 2 H acceptors: 2 LogP: 4.35 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COCCCNC(=O)c1cc(Nc2ccc(cc2)CC)nc2c1cccc2
InChi: 1S/C22H25N3O2/c1-3-16-9-11-17(12-10-16)24-21-15-19(22(26)23-13-6-14-27-2)18-7-4-5-8-20(18)25-21/h4-5,7-12,15H,3,6,13-14H2,1-2H3,(H,23,26)(H,24,25)
InChiKey: TYIWSDZFIKKTJH-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

2-[(4-ethylphenyl)amino]-N-(3-methoxypropyl)-4-quinolinecarboxamide
2-[(4-ethylphenyl)amino]-N-(3-methoxypropyl)cinchoninamide
EU-0059611

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
Entamoeba histolytica	hypothetical protein	0.004	0.0031	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0439	0.1586	0.1583
Onchocerca volvulus		0.0262	0.0897	0.5644
Leishmania major	trypanothione reductase	0.0092	0.0235	1
Brugia malayi	Pepsin A precursor	0.0043	0.0041	0.0041
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Brugia malayi	glutathione reductase	0.0092	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0041	0.0038
Loa Loa (eye worm)	aspartyl protease 6	0.0043	0.0041	0.0038
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0092	0.0235	0.1482
Loa Loa (eye worm)	hypothetical protein	0.0439	0.1586	0.1583
Echinococcus granulosus	geminin	0.0164	0.0513	0.0513
Onchocerca volvulus		0.0043	0.0041	0.0234
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0137	0.0865
Onchocerca volvulus		0.0439	0.1586	1
Echinococcus multilocularis	geminin	0.0164	0.0513	0.0513
Schistosoma mansoni	hypothetical protein	0.004	0.0031	0.0031
Plasmodium vivax	aspartyl proteinase, putative	0.0043	0.0041	0.1749
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2601	1	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0444	0.044
Echinococcus multilocularis	neuropeptide receptor A26	0.0522	0.1906	0.1906
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.2601	1	1
Plasmodium vivax	SET domain protein, putative	0.0033	0.0004	0.0175
Plasmodium falciparum	plasmepsin X	0.0043	0.0041	0.1749
Echinococcus multilocularis	neuroligin	0.0439	0.1586	0.1586
Plasmodium vivax	thioredoxin reductase, putative	0.0092	0.0235	1
Schistosoma mansoni	memapsin-2 (A01 family)	0.106	0.4002	0.4002
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0043	0.0041	0.0038
Onchocerca volvulus		0.0439	0.1586	1
Plasmodium falciparum	plasmepsin V	0.0043	0.0041	0.1749
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0032	0	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0231	0.0773	0.077
Loa Loa (eye worm)	hypothetical protein	0.0439	0.1586	0.1583
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0031	0.0031
Trypanosoma cruzi	trypanothione reductase, putative	0.0092	0.0235	1
Plasmodium falciparum	plasmepsin I	0.0043	0.0041	0.1749
Schistosoma mansoni	gliotactin	0.0439	0.1586	0.1586
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.0137	0.584
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0004	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0041	0.0038
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0137	0.0865
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0004	0.0004
Echinococcus granulosus	carboxylesterase 5A	0.2601	1	1
Plasmodium falciparum	plasmepsin II	0.0043	0.0041	0.1749
Plasmodium vivax	plasmepsin IV, putative	0.0043	0.0041	0.1749
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.0137	0.0137
Brugia malayi	Carboxylesterase family protein	0.0439	0.1586	0.1586
Echinococcus multilocularis	acetylcholinesterase	0.2601	1	1
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0043	0.0041	0.0041
Echinococcus granulosus	acetylcholinesterase	0.2601	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.0522	0.1906	0.1906
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0439	0.1586	0.1586
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.0137	0.0865
Loa Loa (eye worm)	glutathione reductase	0.0092	0.0235	0.0232
Entamoeba histolytica	hypothetical protein	0.004	0.0031	0.5
Schistosoma mansoni	Ubiquinol-cytochrome c reductase complex 14 kDa protein	0.0213	0.0705	0.0705
Plasmodium vivax	plasmepsin V, putative	0.0043	0.0041	0.1749
Brugia malayi	aspartic protease BmAsp-1, identical	0.0043	0.0041	0.0041
Trichomonas vaginalis	set domain proteins, putative	0.0262	0.0897	0.5656
Plasmodium vivax	aspartyl protease, putative	0.0043	0.0041	0.1749
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0439	0.1586	0.1586
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0063	0.0059
Loa Loa (eye worm)	carboxylesterase	0.0439	0.1586	0.1583
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0004	0.0001
Schistosoma mansoni	cathepsin D (A01 family)	0.0043	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0063	0.0059
Brugia malayi	Carboxylesterase family protein	0.2601	1	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0032	0	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0439	0.1586	1
Loa Loa (eye worm)	hypothetical protein	0.0439	0.1586	0.1583
Loa Loa (eye worm)	hypothetical protein	0.0439	0.1586	0.1583
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0063	0.0063
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0137	0.0137
Brugia malayi	Pre-SET motif family protein	0.0231	0.0773	0.0773
Echinococcus granulosus	acetylcholinesterase	0.2601	1	1
Brugia malayi	Pre-SET motif family protein	0.0033	0.0004	0.0004
Brugia malayi	Carboxylesterase family protein	0.0439	0.1586	0.1586
Plasmodium vivax	glutathione reductase, putative	0.0092	0.0235	1
Brugia malayi	hypothetical protein	0.0043	0.0041	0.0041
Toxoplasma gondii	ubiquinol-cytochrome c reductase	0.0049	0.0066	0.2816
Plasmodium falciparum	plasmepsin VII	0.0043	0.0041	0.1749
Plasmodium falciparum	plasmepsin IV	0.0043	0.0041	0.1749
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0439	0.1586	0.1586
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0031	0.0031
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0004	0.0004
Leishmania major	hypothetical protein, conserved	0.0049	0.0066	0.2816
Echinococcus multilocularis	acetylcholinesterase	0.2601	1	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0043	0.0041	0.0041
Brugia malayi	Thioredoxin reductase	0.0092	0.0235	0.0235
Toxoplasma gondii	thioredoxin reductase	0.0092	0.0235	1
Echinococcus multilocularis	carboxylesterase 5A	0.2601	1	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0032	0	0.5
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0043	0.0041	0.0041
Plasmodium falciparum	plasmepsin VI	0.0043	0.0041	0.1749
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0439	0.1586	0.1586
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0032	0	0.5
Onchocerca volvulus		0.0146	0.0444	0.2779
Mycobacterium ulcerans	carboxylesterase, LipT	0.0439	0.1586	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0004	0.0004
Plasmodium falciparum	glutathione reductase	0.0092	0.0235	1
Plasmodium vivax	aspartyl proteinase, putative	0.0043	0.0041	0.1749
Schistosoma mansoni	acetylcholinesterase	0.0439	0.1586	0.1586
Entamoeba histolytica	hypothetical protein	0.004	0.0031	0.5
Trypanosoma cruzi	ubiquinol-cytochrome c reductase complex 14kD subunit, putative	0.0049	0.0066	0.2816
Plasmodium vivax	aspartyl protease, putative	0.0043	0.0041	0.1749
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.2601	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0439	0.1586	0.1586
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0439	0.1586	0.1586
Echinococcus multilocularis	Ubiquinol cytochrome c reductase complex 14 kDa	0.0213	0.0705	0.0705
Trichomonas vaginalis	spcc417.12 protein, putative	0.0439	0.1586	1
Entamoeba histolytica	hypothetical protein	0.004	0.0031	0.5
Schistosoma mansoni	hypothetical protein	0.0164	0.0513	0.0513
Onchocerca volvulus		0.0439	0.1586	1
Onchocerca volvulus		0.0439	0.1586	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0439	0.1586	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0043	0.0041	0.1749
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0092	0.0235	0.0235
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0043	0.0041	0.0041
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.0137	0.584
Echinococcus granulosus	thioredoxin glutathione reductase	0.0092	0.0235	0.0235
Schistosoma mansoni	hypothetical protein	0.0164	0.0513	0.0513
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Toxoplasma gondii	aspartyl protease ASP1	0.0043	0.0041	0.1749
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0439	0.1586	0.1586
Plasmodium vivax	ubiquinol-cytochrome c reductase complex subunit, putative	0.0049	0.0066	0.2816
Trypanosoma cruzi	ubiquinol-cytochrome c reductase complex 14kD subunit, putative	0.0049	0.0066	0.2816
Treponema pallidum	NADH oxidase	0.0032	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0439	0.1586	0.1583
Trypanosoma brucei	ubiquinol-cytochrome c reductase complex 14 kda protein	0.0049	0.0066	0.2816
Brugia malayi	Carboxylesterase family protein	0.0439	0.1586	0.1586
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0004	0.0004
Echinococcus granulosus	Ubiquinol cytochrome c reductase complex 14 kDa	0.0213	0.0705	0.0705
Brugia malayi	Carboxylesterase family protein	0.0439	0.1586	0.1586
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0043	0.0041	0.0038
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Plasmodium falciparum	plasmepsin VIII, putative	0.0043	0.0041	0.1749
Echinococcus granulosus	neuropeptide receptor A26	0.0522	0.1906	0.1906
Loa Loa (eye worm)	carboxylesterase	0.2601	1	1
Brugia malayi	aspartic protease BmAsp-2, identical	0.0043	0.0041	0.0041
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0043	0.0041	0.0041
Loa Loa (eye worm)	thioredoxin reductase	0.0092	0.0235	0.0232
Plasmodium falciparum	plasmepsin IX	0.0043	0.0041	0.1749
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.0137	0.0137
Echinococcus granulosus	BC026374 protein S09 family	0.0439	0.1586	0.1586
Onchocerca volvulus		0.0043	0.0041	0.0234
Toxoplasma gondii	aspartyl protease	0.0043	0.0041	0.1749
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0043	0.0041	0.0259
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0032	0	0.5
Onchocerca volvulus		0.0439	0.1586	1
Brugia malayi	hypothetical protein	0.004	0.0031	0.0031
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0043	0.0041	0.1749
Echinococcus granulosus	neuroligin	0.0439	0.1586	0.1586
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0137	0.0865
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0439	0.1586	0.1586
Plasmodium falciparum	cytochrome b-c1 complex subunit 7, putative	0.0049	0.0066	0.2816
Plasmodium falciparum	thioredoxin reductase	0.0092	0.0235	1
Plasmodium falciparum	plasmepsin III	0.0043	0.0041	0.1749
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0004	0.0004
Trypanosoma brucei	trypanothione reductase	0.0092	0.0235	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0004	0.0004
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0439	0.1586	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0041	0.0038
Echinococcus granulosus	neuropeptide s receptor	0.0522	0.1906	0.1906
Brugia malayi	hypothetical protein	0.0043	0.0041	0.0041
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0031	0.0031
Echinococcus multilocularis	para nitrobenzyl esterase	0.0439	0.1586	0.1586
Echinococcus granulosus	para nitrobenzyl esterase	0.0439	0.1586	0.1586
Loa Loa (eye worm)	carboxylesterase	0.0439	0.1586	0.1583
Brugia malayi	hypothetical protein	0.0146	0.0444	0.0444
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0004	0.0004
Toxoplasma gondii	aspartyl protease ASP3	0.0043	0.0041	0.1749
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0137	0.0137
Plasmodium vivax	aspartyl protease, putative	0.0043	0.0041	0.1749
Loa Loa (eye worm)	acetylcholinesterase 1	0.2601	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0439	0.1586	1
Brugia malayi	hypothetical protein	0.0439	0.1586	0.1586
Loa Loa (eye worm)	hypothetical protein	0.0439	0.1586	0.1583
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0213	0.0705	0.0702

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 781749