TDR Targets

Basic information

Technical information

TDR Targets ID: 624610
Name: [6-ethoxy-4-(4-methylpiperazin-1-yl)quinolin- 3-yl]-(4-methylphenyl)methanone
MW: 389.49 | Formula: C24H27N3O2
H donors: 0 H acceptors: 2 LogP: 4.17 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc2c(c1)c(N1CCN(CC1)C)c(cn2)C(=O)c1ccc(cc1)C
InChi: 1S/C24H27N3O2/c1-4-29-19-9-10-22-20(15-19)23(27-13-11-26(3)12-14-27)21(16-25-22)24(28)18-7-5-17(2)6-8-18/h5-10,15-16H,4,11-14H2,1-3H3
InChiKey: GGTOUKIEDNLIQW-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

[6-ethoxy-4-(4-methylpiperazin-1-yl)-3-quinolyl]-(4-methylphenyl)methanone
[6-ethoxy-4-(4-methyl-1-piperazinyl)-3-quinolyl]-(4-methylphenyl)methanone

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
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0463	0.1647
Onchocerca volvulus		0.0047	0.0463	0.1639
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.023	0.0265
Schistosoma mansoni	hypothetical protein	0.0016	0.0057	0.0065
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0547	0.0634
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0002	0.0002
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0047	0.046	0.0532
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0011	0.0002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1389	0.4935
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0463	0.0537
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.2814	0.2814
Toxoplasma gondii	kinesin motor domain-containing protein	0.0102	0.1163	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0002	0.0002
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1389	0.4923
Schistosoma mansoni	hypothetical protein	0.0016	0.0057	0.0065
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0002	0.0002
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0011	0.0002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2814	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0547	0.0552
Schistosoma mansoni	survival motor neuron protein	0.0047	0.046	0.0532
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0057	0.0058
Entamoeba histolytica	kinesin, putative	0.0102	0.1163	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0011	0.0002	0.0002
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0057	0.0057
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0463	0.0463
Plasmodium vivax	kinesin-5	0.0102	0.1163	1
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0002	0.0002
Loa Loa (eye worm)	MBCTL1	0.0054	0.0547	0.1945
Schistosoma mansoni	hypothetical protein	0.0682	0.8607	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0002	0.0002
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0057	0.0057
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0463	0.1639
Schistosoma mansoni	hypothetical protein	0.0034	0.029	0.0335
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.023	0.023
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0057	0.0058
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0547	0.0547
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0491	0.1739
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.023	0.0232
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0002	0.0002
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.046	0.1629
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.2814	0.2839
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0491	0.1744
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0006
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0002	0.0002
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0011	0.0002	0.5
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1389	0.4923
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0547	0.0552
Onchocerca volvulus		0.0231	0.2819	1
Brugia malayi	hypothetical protein	0.0119	0.1389	0.4932
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0002	0.0002
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0463	0.0467
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0216	0.0218
Echinococcus multilocularis	kinesin family 1	0.0784	0.9914	0.9914
Onchocerca volvulus		0.0047	0.046	0.1626
Brugia malayi	hypothetical protein	0.0231	0.2814	1
Schistosoma mansoni	hypothetical protein	0.0288	0.3547	0.412
Brugia malayi	Pre-SET motif family protein	0.0029	0.023	0.0811
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.023	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0547	0.1945
Echinococcus granulosus	GPCR family 2	0.0016	0.0057	0.0058
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0002	0.0002
Leishmania major	p-glycoprotein	0.0011	0.0002	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.246	0.874
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0002	0.0002
Brugia malayi	Kinesin motor domain containing protein	0.0102	0.1163	0.4129
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0011	0.0002	0.0006
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0187	0.2249	0.2249
Loa Loa (eye worm)	multidrug resistance protein 3	0.0011	0.0002	0.0006
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0057	0.0197
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0547	0.1941
Plasmodium vivax	SET domain protein, putative	0.0029	0.023	0.1965
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0006
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0057	0.0057
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0463	0.0463
Brugia malayi	mbt repeat family protein	0.0047	0.0463	0.1642
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0057	0.0203
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0547	0.0547
Schistosoma mansoni	hypothetical protein	0.0016	0.0057	0.0065
Onchocerca volvulus		0.0029	0.023	0.081
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0057	0.0203
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0463	0.0537
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0491	0.1739
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0102	0.1163	0.4132
Schistosoma mansoni	hypothetical protein	0.0016	0.0057	0.0065
Giardia lamblia	Kinesin-5	0.0102	0.1163	0.5
Plasmodium falciparum	kinesin-5	0.0102	0.1163	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0463	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0034	0.029	0.1031
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0491	0.1744
Echinococcus granulosus	kinesin family 1	0.0784	0.9914	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0011	0.0002	0.0002
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0463	0.1647
Schistosoma mansoni	kinesin eg-5	0.0102	0.1163	0.1349
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.023	0.023
Brugia malayi	Pre-SET motif family protein	0.0203	0.246	0.8739
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1389	0.4935
Brugia malayi	mbt repeat family protein	0.0047	0.0463	0.1642
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.023	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0029	0.023	0.0816
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.023	0.1965
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0463	0.0537
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0002	0.0002
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.029	0.1026
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.023	0.0265
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0187	0.2249	0.2268
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0057	0.0197
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.2819	1

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 624610