TDR Targets

Basic information

Technical information

TDR Targets ID: 105642
Name: 7-chloro-2,3-bis(4-methylpiperazin-1-yl)quino xalin-5-amine
MW: 375.899 | Formula: C18H26ClN7
H donors: 1 H acceptors: 2 LogP: 1.69 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1nc2c(N)cc(cc2nc1N1CCN(CC1)C)Cl
InChi: 1S/C18H26ClN7/c1-23-3-7-25(8-4-23)17-18(26-9-5-24(2)6-10-26)22-16-14(20)11-13(19)12-15(16)21-17/h11-12H,3-10,20H2,1-2H3
InChiKey: JXPUYNYHKHQCQA-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-2,3-bis(4-methyl-1-piperazinyl)-5-quinoxalinamine
[7-chloro-2,3-bis(4-methylpiperazino)quinoxalin-5-yl]amine
[7-chloro-2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-yl]amine

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	metabotropic glutamate receptor 5	0.0049	0.0142	0.0059
Plasmodium vivax	potassium channel, putative	0.0044	0.0083	0.5
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0044	0.0083	0.5
Giardia lamblia	Hypothetical protein	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Echinococcus multilocularis	serotonin receptor	0.028	0.2674	0.2613
Plasmodium falciparum	potassium channel	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0044	0.0083	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0044	0.0083	1
Mycobacterium ulcerans	ion transport protein	0.0044	0.0083	0.5
Onchocerca volvulus		0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0044	0.0083	1
Leishmania major	ion transport protein-like protein	0.0044	0.0083	0.5
Loa Loa (eye worm)	TWK-28 protein	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0044	0.0083	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0142	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0448	0.4517	0.4494
Loa Loa (eye worm)	TWK-7 protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0044	0.0083	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0049	0.0142	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0202	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Schistosoma mansoni	biogenic amine (5HT) receptor	0.028	0.2674	0.2613
Brugia malayi	hypothetical protein	0.0044	0.0083	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Brugia malayi	Metabotropic glutamate receptor precursor.	0.004	0.0041	0.4955
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0044	0.0083	1
Schistosoma mansoni	hypothetical protein	0.0947	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0402	0.4013	0.3989
Schistosoma mansoni	calcium-activated potassium channel	0.0947	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0947	1	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0044	0.0083	1
Trypanosoma cruzi	ion transport protein, putative	0.0044	0.0083	0.5
Onchocerca volvulus		0.0044	0.0083	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0044	0.0083	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Leishmania major	potassium channel subunit-like protein	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Onchocerca volvulus		0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0044	0.0083	1
Onchocerca volvulus		0.0044	0.0083	0.5
Schistosoma mansoni	calcium-activated potassium channel	0.0849	0.8925	0.8916
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0083	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0083	0.5
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0044	0.0083	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0044	0.0083	1
Onchocerca volvulus		0.0044	0.0083	0.5
Onchocerca volvulus		0.0044	0.0083	0.5
Toxoplasma gondii	ion channel protein	0.0044	0.0083	0.5
Leishmania major	hypothetical protein, conserved	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0044	0.0083	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0044	0.0083	0.5
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0044	0.0083	0.5
Echinococcus multilocularis	serotonin receptor	0.028	0.2674	0.2613
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0083	0.5
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0083	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.028	0.2674	0.2613
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0044	0.0083	1
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0044	0.0083	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0044	0.0083	1
Plasmodium falciparum	potassium channel	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Mycobacterium ulcerans	transmembrane cation transporter	0.0044	0.0083	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Trypanosoma cruzi	ion transport protein, putative	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.028	0.2674	0.2644
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0044	0.0083	1
Schistosoma mansoni	amine GPCR	0.0726	0.7571	0.7551
Leishmania major	calcium/potassium channel (CAKC), putative	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Leishmania major	hypothetical protein, conserved	0.0044	0.0083	0.5
Brugia malayi	hypothetical protein	0.0044	0.0083	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0044	0.0083	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0044	0.0083	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0044	0.0083	0.0042
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0044	0.0083	1
Echinococcus multilocularis	small conductance calcium activated potassium	0.0947	1	1
Loa Loa (eye worm)	uncoordinated protein 58	0.0044	0.0083	0.0042
Plasmodium vivax	potassium channel, putative	0.0044	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.028	0.2674	0.2644
Onchocerca volvulus		0.0044	0.0083	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0044	0.0083	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0083	0.0042
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0045	0.0101	0.0018
Onchocerca volvulus		0.0044	0.0083	0.5
Toxoplasma gondii	ion channel protein	0.0044	0.0083	0.5
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0044	0.0083	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Dose (functional)	mg kg-1 day-1	Lowest active dose which cured rats with Entamoeba histolytica cecal infection was measured	ChEMBL.	7359534
Dose (functional)	mg kg-1 day-1	Lowest active dose which cured hamsters with Entamoeba histolytica hepatic infection was measured	ChEMBL.	7359534
Dose (functional)	NA 0 mg kg-1 day-1	Lowest active dose which cured rats with Entamoeba histolytica cecal infection was measured	ChEMBL.	7359534
Dose (functional)	ND 0 mg kg-1 day-1	Lowest active dose which cured hamsters with Entamoeba histolytica hepatic infection was measured	ChEMBL.	7359534

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

ChEMBL: CHEMBL65248
PubChem: 12676667

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 105642