TDR Targets

Basic information

Technical information

TDR Targets ID: 238247
Name: 7-chloro-4-[4-[[4-(7-chloroquinolin-4-yl)pipe razin-1-yl]methyl]piperazin-1-yl]quinoline
MW: 507.457 | Formula: C27H28Cl2N6
H donors: 0 H acceptors: 2 LogP: 5.38 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: Clc1ccc2c(c1)nccc2N1CCN(CC1)CN1CCN(CC1)c1ccnc2c1ccc(c2)Cl
InChi: 1S/C27H28Cl2N6/c28-20-1-3-22-24(17-20)30-7-5-26(22)34-13-9-32(10-14-34)19-33-11-15-35(16-12-33)27-6-8-31-25-18-21(29)2-4-23(25)27/h1-8,17-18H,9-16,19H2
InChiKey: QKHHJHITDHSHKU-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

7-chloro-4-[4-[[4-(7-chloro-4-quinolyl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline
7-chloro-4-[4-[[4-(7-chloro-4-quinolyl)-1-piperazinyl]methyl]-1-piperazinyl]quinoline
7-chloro-4-[4-[[4-(7-chloro-4-quinolyl)piperazino]methyl]piperazino]quinoline

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	FAD-dependent thymidylate synthase	0.961127	1	1
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0105211	0.00983932	1
Brugia malayi	Serotonin receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	G-protein coupled receptor	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Mycobacterium tuberculosis	Probable thymidylate synthase ThyX (ts) (TSase)	0.961127	1	1
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	Dopamine receptor protein 1	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	ORL1-like opioid receptor	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	G protein-coupled receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0105211	0.00983932	0.5
Onchocerca volvulus		0.0105211	0.00983932	1
Brugia malayi	neuropeptide F receptor	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	putative neuropeptide receptor	0.00155333	0.000498386	0.0506524
Echinococcus granulosus	eukaryotic translation initiation factor 4E	0.00237513	0.00135438	0.0916392
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	neuropeptide F receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	larval opioid receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00500519	0.00409388	0.416073
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	translation initiation factor 4E	0.00237513	0.00135438	0.13765
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0105211	0.00983932	1
Brugia malayi	Serotonin receptor	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Echinococcus multilocularis	thymidylate synthase	0.0105211	0.00983932	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.00155333	0.000498386	0.0506524
Echinococcus multilocularis	eukaryotic translation initiation factor 4E	0.00237513	0.00135438	0.0916392
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	thymidylate synthase	0.0105211	0.00983932	1
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYX (TS) (TSase)	0.961127	1	1
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	melatonin receptor type 1A	0.00155333	0.000498386	0.0506524
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.00237513	0.00135438	0.5
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	translation initiation factor 4E	0.00237513	0.00135438	0.13765
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0105211	0.00983932	0.5
Brugia malayi	sulfakinin receptor protein	0.00155333	0.000498386	0.0506524
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.00155333	0.000498386	0.0506524
Trichomonas vaginalis	conserved hypothetical protein	0.00500519	0.00409388	1
Loa Loa (eye worm)	thymidylate synthase	0.0105211	0.00983932	1
Brugia malayi	neuropeptide F receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.00237513	0.00135438	0.5
Brugia malayi	G protein-coupled receptor F59B2.13	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	follicle stimulating hormone receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	GnHR receptor homolog	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	TYRA-2 protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	Tachykinin-like peptides receptor 99D	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0105211	0.00983932	0.00576906
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	G-protein coupled receptor	0.00155333	0.000498386	0.0506524
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.00500519	0.00409388	0.322866
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0105211	0.00983932	1
Loa Loa (eye worm)	G-protein coupled receptor	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	Dopamine receptor protein 2	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	Melatonin receptor type 1A	0.00155333	0.000498386	0.0506524
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.00155333	0.000498386	0.0506524
Echinococcus granulosus	thymidylate synthase	0.0105211	0.00983932	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	RE15519p	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	putative neuropeptide receptor NPR1	0.00155333	0.000498386	0.0506524
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0105211	0.00983932	1
Schistosoma mansoni	eukaryotic translation initiation factor 4e	0.00237513	0.00135438	0.0916392
Brugia malayi	G-protein coupled receptor	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Brugia malayi	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	neuropeptide F receptor	0.00155333	0.000498386	0.0506524
Brugia malayi	AKH receptor	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	hypothetical protein	0.00155333	0.000498386	0.0506524
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.00155333	0.000498386	0.0506524
Brugia malayi	Dopamine receptor	0.00155333	0.000498386	0.0506524
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0105211	0.00983932	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 1000 nM	Antimalarial activity against D6 clone of P. falciparum was determined in vitro.	ChEMBL.	9784111
IC50 (functional)	> 1000 nM	Antimalarial activity against chloroquine-resistant W2 clone of P. falciparum was determined in vitro.	ChEMBL.	9784111
IC50 (functional)	> 1000 nM	Antimalarial activity against D6 clone of P. falciparum was determined in vitro.	ChEMBL.	9784111
IC50 (functional)	> 1000 nM	Antimalarial activity against chloroquine-resistant W2 clone of P. falciparum was determined in vitro.	ChEMBL.	9784111
IC50 (functional)	> 2500 uM	Ability of the compound to inhibit hematin polymerization was determined in vitro in Plasmodium falciparum.	ChEMBL.	9784111
IC50 (functional)	> 2500 uM	Ability of the compound to inhibit hematin polymerization was determined in vitro in Plasmodium falciparum.	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice died on day 10 at 160 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice died on day 14 at 640 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice died on day 22 at 640 mg/kg	ChEMBL.	9784111
Number (functional)	1	Number of P. berghei infected mice died on day 16 at 160 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice died on day 6 at 40 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice cured after administration of the dose 640 mg/kg	ChEMBL.	9784111
Number (functional)	= 3	Number of P. berghei infected mice died on day 9 at 160 mg/kg	ChEMBL.	9784111
Number (functional)	= 4	Number of P. berghei infected mice died on day 7 at 40 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice died on day 6 at 40 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice died on day 10 at 160 mg/kg	ChEMBL.	9784111
Number (functional)	1	Number of P. berghei infected mice died on day 16 at 160 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice died on day 14 at 640 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice died on day 22 at 640 mg/kg	ChEMBL.	9784111
Number (functional)	= 1	Number of P. berghei infected mice cured after administration of the dose 640 mg/kg	ChEMBL.	9784111
Number (functional)	= 3	Number of P. berghei infected mice died on day 9 at 160 mg/kg	ChEMBL.	9784111
Number (functional)	= 4	Number of P. berghei infected mice died on day 7 at 40 mg/kg	ChEMBL.	9784111

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	9784111

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

ChEMBL: CHEMBL139165
PubChem: 10744204

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 238247