TDR Targets

Basic information

Technical information

TDR Targets ID: 781720
Name: N-(3-diethylaminopropyl)-2-[(4-propan-2-ylphe nyl)amino]quinoline-4-carboxamide
MW: 418.574 | Formula: C26H34N4O
H donors: 2 H acceptors: 2 LogP: 5.6 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCCNC(=O)c1cc(Nc2ccc(cc2)C(C)C)nc2c1cccc2)CC
InChi: 1S/C26H34N4O/c1-5-30(6-2)17-9-16-27-26(31)23-18-25(29-24-11-8-7-10-22(23)24)28-21-14-12-20(13-15-21)19(3)4/h7-8,10-15,18-19H,5-6,9,16-17H2,1-4H3,(H,27,31)(H,28,29)
InChiKey: PBKPFRILOKBWQA-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

N-(3-diethylaminopropyl)-2-[(4-isopropylphenyl)amino]quinoline-4-carboxamide
N-(3-diethylaminopropyl)-2-[(4-isopropylphenyl)amino]-4-quinolinecarboxamide
N-(3-diethylaminopropyl)-2-[(4-isopropylphenyl)amino]cinchoninamide

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
Mycobacterium ulcerans	carboxylesterase, LipT	0.152	0.1675	1
Schistosoma mansoni	gliotactin	0.152	0.1675	0.1663
Echinococcus granulosus	intermediate filament protein	0.0033	0.0019	0.0019
Echinococcus granulosus	acetylcholinesterase	0.8995	1	1
Brugia malayi	hypothetical protein	0.0038	0.0025	0.0023
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0015	0.5
Loa Loa (eye worm)	glutathione reductase	0.0084	0.0076	0.0076
Mycobacterium tuberculosis	Carboxylesterase LipT	0.152	0.1675	1
Plasmodium falciparum	plasmepsin VII	0.0038	0.0025	0.1749
Loa Loa (eye worm)	thioredoxin reductase	0.0084	0.0076	0.0076
Onchocerca volvulus		0.152	0.1675	1
Toxoplasma gondii	aspartyl protease	0.0038	0.0025	0.1749
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0038	0.0025	0.0025
Plasmodium falciparum	plasmepsin IV	0.0038	0.0025	0.1749
Plasmodium vivax	aspartyl proteinase, putative	0.0038	0.0025	0.1749
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.8995	1	1
Onchocerca volvulus		0.152	0.1675	1
Echinococcus granulosus	acetylcholinesterase	0.8995	1	1
Echinococcus granulosus	neuroligin	0.152	0.1675	0.1675
Brugia malayi	aspartic protease BmAsp-2, identical	0.0038	0.0025	0.0023
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0038	0.0025	0.0025
Treponema pallidum	NADH oxidase	0.0029	0.0015	0.5
Echinococcus granulosus	lamin	0.0033	0.0019	0.0019
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.152	0.1675	1
Plasmodium falciparum	thioredoxin reductase	0.0084	0.0076	1
Schistosoma mansoni	memapsin-2 (A01 family)	0.0959	0.105	0.1037
Plasmodium falciparum	plasmepsin IX	0.0038	0.0025	0.1749
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0038	0.0025	0.1749
Plasmodium falciparum	plasmepsin III	0.0038	0.0025	0.1749
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0025	0.0025
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0029	0.0015	0.5
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0029	0.0015	0.0015
Plasmodium falciparum	plasmepsin VIII, putative	0.0038	0.0025	0.1749
Echinococcus multilocularis	musashi	0.0033	0.0019	0.0019
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0038	0.0025	0.1749
Brugia malayi	Thioredoxin reductase	0.0084	0.0076	0.0074
Schistosoma mansoni	cathepsin D (A01 family)	0.0038	0.0025	0.0011
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0029	0.0015	0.0015
Echinococcus multilocularis	para nitrobenzyl esterase	0.152	0.1675	0.1675
Plasmodium falciparum	plasmepsin I	0.0038	0.0025	0.1749
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0015	0.5
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0021	0.0006	0.0004
Trypanosoma cruzi	trypanothione reductase, putative	0.0084	0.0076	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.152	0.1675	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0025	0.0025
Plasmodium vivax	plasmepsin IV, putative	0.0038	0.0025	0.1749
Loa Loa (eye worm)	hypothetical protein	0.152	0.1675	0.1675
Echinococcus multilocularis	acetylcholinesterase	0.8995	1	1
Loa Loa (eye worm)	hypothetical protein	0.152	0.1675	0.1675
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.0911	0.0911
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0002	0.0002
Brugia malayi	hypothetical protein	0.152	0.1675	0.1674
Plasmodium vivax	aspartyl proteinase, putative	0.0038	0.0025	0.1749
Brugia malayi	glutathione reductase	0.0084	0.0076	0.0074
Echinococcus multilocularis	carboxylesterase 5A	0.8995	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0019	0.0019
Loa Loa (eye worm)	carboxylesterase	0.152	0.1675	0.1675
Brugia malayi	hypothetical protein	0.0038	0.0025	0.0023
Plasmodium vivax	aspartyl protease, putative	0.0038	0.0025	0.1749
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0038	0.0025	0.0023
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.152	0.1675	0.1675
Loa Loa (eye worm)	hypothetical protein	0.8995	1	1
Loa Loa (eye worm)	aspartyl protease 6	0.0038	0.0025	0.0025
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0084	0.0076	0.0076
Plasmodium falciparum	glutathione reductase	0.0084	0.0076	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.152	0.1675	0.1675
Echinococcus granulosus	BC026374 protein S09 family	0.152	0.1675	0.1675
Schistosoma mansoni	BC026374 protein (S09 family)	0.152	0.1675	0.1663
Plasmodium vivax	aspartyl protease, putative	0.0038	0.0025	0.1749
Onchocerca volvulus		0.152	0.1675	1
Brugia malayi	Carboxylesterase family protein	0.152	0.1675	0.1674
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0021	0.0006	0.0004
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Onchocerca volvulus		0.0038	0.0025	0.004
Toxoplasma gondii	thioredoxin reductase	0.0084	0.0076	1
Plasmodium vivax	glutathione reductase, putative	0.0084	0.0076	1
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0019	0.0019
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0019	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0018	0.0018
Echinococcus granulosus	para nitrobenzyl esterase	0.152	0.1675	0.1675
Plasmodium falciparum	plasmepsin II	0.0038	0.0025	0.1749
Toxoplasma gondii	aspartyl protease ASP1	0.0038	0.0025	0.1749
Plasmodium vivax	thioredoxin reductase, putative	0.0084	0.0076	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.152	0.1675	0.1663
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Schistosoma mansoni	cathepsin D (A01 family)	0.0038	0.0025	0.0011
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0029	0.0015	0.0013
Schistosoma mansoni	lamin	0.0033	0.0019	0.0004
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Plasmodium vivax	plasmepsin V, putative	0.0038	0.0025	0.1749
Brugia malayi	Carboxylesterase family protein	0.152	0.1675	0.1674
Brugia malayi	Carboxylesterase family protein	0.152	0.1675	0.1674
Loa Loa (eye worm)	hypothetical protein	0.152	0.1675	0.1675
Loa Loa (eye worm)	hypothetical protein	0.8995	1	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Echinococcus multilocularis	lamin dm0	0.0033	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.152	0.1675	0.1675
Onchocerca volvulus		0.152	0.1675	1
Schistosoma mansoni	lamin	0.0033	0.0019	0.0004
Schistosoma mansoni	neuroligin 3 (S09 family)	0.152	0.1675	0.1663
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0038	0.0025	0.0025
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Plasmodium vivax	aspartyl protease, putative	0.0038	0.0025	0.1749
Plasmodium falciparum	plasmepsin V	0.0038	0.0025	0.1749
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.152	0.1675	0.1663
Echinococcus granulosus	carboxylesterase 5A	0.8995	1	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.152	0.1675	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0025	0.0025
Brugia malayi	Pepsin A precursor	0.0038	0.0025	0.0023
Schistosoma mansoni	acetylcholinesterase	0.152	0.1675	0.1663
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.152	0.1675	0.1663
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.0911	0.0897
Brugia malayi	Carboxylesterase family protein	0.152	0.1675	0.1674
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0029	0.0015	0.5
Onchocerca volvulus		0.0038	0.0025	0.004
Echinococcus multilocularis	acetylcholinesterase	0.8995	1	1
Toxoplasma gondii	aspartyl protease ASP3	0.0038	0.0025	0.1749
Loa Loa (eye worm)	hypothetical protein	0.152	0.1675	0.1675
Loa Loa (eye worm)	hypothetical protein	0.152	0.1675	0.1675
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.152	0.1675	0.1675
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0019	0.0004
Loa Loa (eye worm)	carboxylesterase	0.8995	1	1
Trypanosoma brucei	trypanothione reductase	0.0084	0.0076	1
Leishmania major	trypanothione reductase	0.0084	0.0076	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.0911	0.0911
Brugia malayi	aspartic protease BmAsp-1, identical	0.0038	0.0025	0.0023
Plasmodium falciparum	plasmepsin VI	0.0038	0.0025	0.1749
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0038	0.0025	0.0064
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Loa Loa (eye worm)	carboxylesterase	0.152	0.1675	0.1675
Brugia malayi	Carboxylesterase family protein	0.8995	1	1
Echinococcus multilocularis	neuroligin	0.152	0.1675	0.1675
Echinococcus granulosus	lamin dm0	0.0033	0.0019	0.0019
Loa Loa (eye worm)	acetylcholinesterase 1	0.8995	1	1
Loa Loa (eye worm)	hypothetical protein	0.152	0.1675	0.1675
Onchocerca volvulus		0.152	0.1675	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0029	0.0015	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0025	0.0011
Brugia malayi	intermediate filament protein	0.0033	0.0019	0.0017
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0019	0.0019
Trichomonas vaginalis	spcc417.12 protein, putative	0.152	0.1675	1
Plasmodium falciparum	plasmepsin X	0.0038	0.0025	0.1749
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0038	0.0025	0.0025
Echinococcus granulosus	thioredoxin glutathione reductase	0.0084	0.0076	0.0076
Echinococcus multilocularis	lamin	0.0033	0.0019	0.0019
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0084	0.0076	0.0366

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 781720