TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.84 | Formula: C18H33Cl3N4
H donors: 3 H acceptors: 0 LogP: 3.1 Rotable bonds: 15
Rule of 5 violations (Lipinski): 1
SMILES: NCCCNCCCCNCc1ccc(cc1)N(CCCl)CCCl.Cl
InChi: 1S/C18H32Cl2N4.ClH/c19-8-14-24(15-9-20)18-6-4-17(5-7-18)16-23-12-2-1-11-22-13-3-10-21;/h4-7,22-23H,1-3,8-16,21H2;1H
InChiKey: QFLXZCIHXNYYCV-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

No synonyms found for this compound

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
Chlamydia trachomatis	pyruvate kinase	0.0038	0.8784	0.5
Entamoeba histolytica	hypothetical protein	0.0041	1	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0038	0.8784	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0041	1	1
Schistosoma mansoni	lamin	0.0031	0.5815	0.5222
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.5815	0.5815
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	1	1
Schistosoma mansoni	intermediate filament proteins	0.0031	0.5815	0.5222
Leishmania major	pyruvate kinase	0.0038	0.8784	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.5586	0.636
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.8784	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.8784	1
Echinococcus granulosus	intermediate filament protein	0.0031	0.5815	0.5222
Echinococcus multilocularis	pyruvate kinase	0.003	0.5519	0.4884
Mycobacterium ulcerans	pyruvate kinase	0.0038	0.8784	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	1	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0038	0.8784	1
Brugia malayi	intermediate filament protein	0.0031	0.5815	0.5815
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0038	0.8784	0.8784
Giardia lamblia	Pyruvate kinase	0.0038	0.8784	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0038	0.8784	0.5
Schistosoma mansoni	pyruvate kinase	0.0038	0.8784	0.8611
Echinococcus granulosus	lamin	0.0031	0.5815	0.5222
Schistosoma mansoni	hypothetical protein	0.0041	1	1
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0038	0.8784	0.8784
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.8784	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.5815	0.6621
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.5815	0.6621
Echinococcus granulosus	lamin dm0	0.0031	0.5815	0.5222
Plasmodium vivax	pyruvate kinase, putative	0.0038	0.8784	1
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0038	0.8784	0.5
Entamoeba histolytica	hypothetical protein	0.0041	1	1
Trypanosoma brucei	pyruvate kinase 1	0.0038	0.8784	0.5
Echinococcus multilocularis	musashi	0.0031	0.5815	0.5222
Echinococcus granulosus	pyruvate kinase	0.0038	0.8784	0.8611
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0038	0.8784	0.5
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0038	0.8784	0.5
Echinococcus granulosus	pyruvate kinase	0.0038	0.8784	0.8611
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.8784	1
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.8784	1
Echinococcus multilocularis	pyruvate kinase	0.0038	0.8784	0.8611
Leishmania major	pyruvate kinase	0.0038	0.8784	0.5
Entamoeba histolytica	hypothetical protein	0.0041	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.4096	0.4663
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.5815	0.6621
Echinococcus multilocularis	pyruvate kinase	0.0038	0.8784	0.8611
Loa Loa (eye worm)	pyruvate kinase-PB	0.0026	0.4096	0.4663
Plasmodium falciparum	pyruvate kinase	0.0038	0.8784	1
Entamoeba histolytica	hypothetical protein	0.0041	1	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0038	0.8784	0.5
Schistosoma mansoni	lamin	0.0031	0.5815	0.5222
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.8784	1
Echinococcus multilocularis	lamin dm0	0.0031	0.5815	0.5222
Echinococcus multilocularis	lamin	0.0031	0.5815	0.5222
Trypanosoma brucei	pyruvate kinase 1, putative	0.0038	0.8784	0.5
Schistosoma mansoni	pyruvate kinase	0.0038	0.8784	0.8611
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.8784	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 8.13 uM	Cytotoxicity against mouse L1210 cells after 24 hrs in presence of spermidine	ChEMBL.	18281932
IC50 (functional)	= 8.14 uM	Cytotoxicity against mouse L1210 cells after 48 hrs	ChEMBL.	18281932

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	18281932

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: CHEMBL557794

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1573994