TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 335.271 | Formula: C18H20Cl2N2
H donors: 1 H acceptors: 0 LogP: 5.02 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1Cl)N(C1CNC1)CCCc1ccccc1
InChi: 1S/C18H20Cl2N2/c19-17-9-8-15(11-18(17)20)22(16-12-21-13-16)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2
InChiKey: WXWLFJMECDDEAB-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
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Trichomonas vaginalis	tubulin gamma chain, putative	0.0014	0	0.5
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0019	0.05	0.1149
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Trypanosoma cruzi	beta tubulin, putative	0.0014	0	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.05	0.05
Brugia malayi	Muscle positioning protein 4	0.0019	0.05	0.1149
Schistosoma mansoni	notch	0.0019	0.05	0.05
Onchocerca volvulus	Peroxidasin homolog	0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Leishmania major	beta tubulin	0.0014	0	0.5
Loa Loa (eye worm)	Notch2	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Leishmania major	epsilon tubulin, putative	0.0014	0	0.5
Schistosoma mansoni	notch	0.0019	0.05	0.05
Echinococcus granulosus	protein jagged 2	0.0019	0.05	0.1149
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0014	0	0.5
Leishmania major	alpha tubulin	0.0014	0	0.5
Plasmodium falciparum	alpha tubulin 1	0.0014	0	0.5
Schistosoma mansoni	notch	0.0019	0.05	0.05
Echinococcus multilocularis	neurogenic locus notch protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0019	0.05	0.05
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Onchocerca volvulus	Peroxidase homolog	0.006	0.4354	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Trypanosoma cruzi	tubulin gamma chain	0.0014	0	0.5
Onchocerca volvulus	Chorion peroxidase homolog	0.006	0.4354	1
Leishmania major	beta tubulin	0.0014	0	0.5
Entamoeba histolytica	tubulin alpha-1 chain	0.0014	0	0.5
Leishmania major	beta tubulin	0.0014	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0	0.5
Entamoeba histolytica	tubulin gamma chain	0.0014	0	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Leishmania major	beta tubulin	0.0014	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0	0.5
Leishmania major	alpha tubulin	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Echinococcus granulosus	fibropellin Ia	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Echinococcus granulosus	neurogenic locus protein delta	0.0019	0.05	0.1149
Plasmodium falciparum	alpha tubulin 2	0.0014	0	0.5
Onchocerca volvulus	Peroxidase homolog	0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Plasmodium falciparum	tubulin beta chain	0.0014	0	0.5
Plasmodium vivax	tubulin gamma chain, putative	0.0014	0	0.5
Toxoplasma gondii	EGF family domain-containing protein	0.0019	0.05	1
Leishmania major	beta tubulin	0.0014	0	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.0014	0	0.5
Leishmania major	alpha tubulin	0.0014	0	0.5
Onchocerca volvulus		0.006	0.4354	1
Leishmania major	beta tubulin	0.0014	0	0.5
Schistosoma mansoni	cell polarity protein	0.0019	0.05	0.05
Loa Loa (eye worm)	animal heme peroxidase	0.006	0.4354	1
Entamoeba histolytica	tubulin family protein	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Leishmania major	alpha tubulin	0.0014	0	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0014	0	0.5
Echinococcus multilocularis	neurogenic locus notch protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	animal heme peroxidase	0.006	0.4354	1
Brugia malayi	EGF-like domain containing protein	0.0019	0.05	0.1149
Echinococcus multilocularis	slit 2 protein	0.0019	0.05	0.1149
Brugia malayi	EGF-like domain containing protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	blistered cuticle protein 3	0.006	0.4354	1
Echinococcus granulosus	notch	0.0019	0.05	0.1149
Echinococcus multilocularis	peroxidasin	0.006	0.4354	1
Brugia malayi	Blistered cuticle protein 3	0.006	0.4354	1
Leishmania major	beta tubulin	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Schistosoma mansoni	hypothetical protein	0.0019	0.05	0.05
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Echinococcus multilocularis	protein jagged 1	0.0019	0.05	0.1149
Leishmania major	beta tubulin	0.0014	0	0.5
Leishmania major	alpha tubulin	0.0014	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.006	0.4354	1
Brugia malayi	GCC2 and GCC3 family protein	0.0019	0.05	0.1149
Onchocerca volvulus	Dual oxidase homolog	0.006	0.4354	1
Schistosoma mansoni	hypothetical protein	0.0019	0.05	0.05
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0	0.5
Echinococcus granulosus	protein jagged 1	0.0019	0.05	0.1149
Trypanosoma cruzi	epsilon tubulin, putative	0.0014	0	0.5
Brugia malayi	Cadherin domain containing protein	0.0019	0.05	0.1149
Leishmania major	beta tubulin	0.0014	0	0.5
Brugia malayi	EGF-like domain containing protein	0.0019	0.05	0.1149
Echinococcus granulosus	neurogenic locus notch protein	0.0019	0.05	0.1149
Leishmania major	alpha tubulin	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Schistosoma mansoni	hypothetical protein	0.0019	0.05	0.05
Schistosoma mansoni	slit	0.0019	0.05	0.05
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Schistosoma mansoni	hypothetical protein	0.0019	0.05	0.05
Trichomonas vaginalis	tubulin alpha chain, putative	0.0014	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.006	0.4354	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0014	0	0.5
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0014	0	0.5
Schistosoma mansoni	peroxidasin	0.006	0.4354	0.4354
Brugia malayi	EGF-like domain containing protein	0.0019	0.05	0.1149
Leishmania major	alpha tubulin	0.0014	0	0.5
Leishmania major	beta tubulin	0.0014	0	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0014	0	0.5
Echinococcus multilocularis	protein jagged 2	0.0019	0.05	0.1149
Onchocerca volvulus	Peroxidasin homolog	0.006	0.4354	1
Echinococcus granulosus	neurogenic locus notch protein	0.0019	0.05	0.1149
Entamoeba histolytica	tubulin alpha chain, putative	0.0014	0	0.5
Leishmania major	alpha tubulin	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Schistosoma mansoni	notch	0.0019	0.05	0.05
Brugia malayi	notch-like transmembrane receptor	0.0019	0.05	0.1149
Echinococcus multilocularis	protein jagged 1	0.0019	0.05	0.1149
Plasmodium vivax	tubulin alpha chain, putative	0.0014	0	0.5
Leishmania major	beta tubulin	0.0014	0	0.5
Leishmania major	alpha tubulin	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Echinococcus granulosus	delta-like protein 1	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0	0.5
Leishmania major	gamma-tubulin	0.0014	0	0.5
Echinococcus granulosus	peroxidasin	0.006	0.4354	1
Trypanosoma cruzi	alpha tubulin, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Brugia malayi	hypothetical protein	0.006	0.4354	1
Schistosoma mansoni	septate junction protein	0.0019	0.05	0.05
Plasmodium falciparum	tubulin gamma chain	0.0014	0	0.5
Leishmania major	beta tubulin	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.05	0.1149
Echinococcus granulosus	slit 2 protein	0.0019	0.05	0.1149
Brugia malayi	Cadherin domain containing protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	notch protein	0.0019	0.05	0.1149
Schistosoma mansoni	notch	0.0019	0.05	0.05
Onchocerca volvulus		0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.0019	0.05	0.1149
Leishmania major	beta tubulin	0.0014	0	0.5
Trypanosoma cruzi	epsilon tubulin, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Brugia malayi	Delta serrate ligand family protein	0.0019	0.05	0.1149
Plasmodium falciparum	tubulin epsilon chain, putative	0.0014	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0	0.5
Echinococcus granulosus	protein jagged 1	0.0019	0.05	0.1149
Brugia malayi	Calcium binding EGF domain containing protein	0.0019	0.05	0.1149
Trichomonas vaginalis	tubulin alpha chain, putative	0.0014	0	0.5
Leishmania major	beta tubulin	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Leishmania major	alpha tubulin	0.0014	0	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0019	0.05	0.1149
Leishmania major	beta tubulin	0.0014	0	0.5
Leishmania major	beta tubulin	0.0014	0	0.5
Echinococcus multilocularis	fibropellin Ia	0.0019	0.05	0.1149
Loa Loa (eye worm)	hypothetical protein	0.006	0.4354	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0014	0	0.5
Echinococcus granulosus	neural cadherin	0.0019	0.05	0.1149
Schistosoma mansoni	peroxidasin	0.006	0.4354	0.4354
Echinococcus multilocularis	neurogenic locus protein delta	0.0019	0.05	0.1149
Plasmodium vivax	tubulin alpha chain, putative	0.0014	0	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0019	0.05	0.1149
Schistosoma mansoni	hypothetical protein	0.0019	0.05	0.05
Brugia malayi	Animal haem peroxidase family protein	0.006	0.4354	1
Echinococcus granulosus	protein jagged 2	0.0019	0.05	0.1149
Brugia malayi	EGF-like domain containing protein	0.0019	0.05	0.1149
Schistosoma mansoni	hypothetical protein	0.0019	0.05	0.05
Leishmania major	alpha tubulin	0.0014	0	0.5
Trypanosoma brucei	RNA helicase, putative	0.0119	1	1
Trichomonas vaginalis	tubulin, putative	0.0014	0	0.5
Brugia malayi	EGF-like domain containing protein	0.0019	0.05	0.1149
Schistosoma mansoni	notch	0.0019	0.05	0.05
Brugia malayi	EGF-like domain containing protein	0.0019	0.05	0.1149
Loa Loa (eye worm)	animal heme peroxidase	0.006	0.4354	1
Plasmodium vivax	tubulin beta chain, putative	0.0014	0	0.5
Schistosoma mansoni	laminin gamma-3 chain	0.0019	0.05	0.05
Giardia lamblia	High cysteine protein	0.0019	0.05	1
Leishmania major	alpha tubulin	0.0014	0	0.5
Leishmania major	beta tubulin	0.0014	0	0.5
Entamoeba histolytica	tubulin family protein	0.0014	0	0.5
Echinococcus multilocularis	neurogenic locus protein delta	0.0019	0.05	0.1149
Leishmania major	beta tubulin	0.0014	0	0.5
Echinococcus multilocularis	neural cadherin	0.0019	0.05	0.1149
Echinococcus multilocularis	notch	0.0019	0.05	0.1149
Onchocerca volvulus		0.006	0.4354	1
Brugia malayi	Peroxidasin	0.006	0.4354	1
Brugia malayi	Animal haem peroxidase family protein	0.006	0.4354	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 13 %	Inhibition of human DAT expressed in HEK293 cells at 0.1 uM incubated for 15 mins by neurotransmitter reuptake assay	ChEMBL.	25221656
Inhibition (binding)	= 16 %	Inhibition of human NET expressed in HEK293 cells at 0.1 uM incubated for 15 mins by neurotransmitter reuptake assay	ChEMBL.	25221656
Inhibition (binding)	= 30 %	Inhibition of human SERT expressed in HEK293 cells at 0.1 uM incubated for 15 mins by neurotransmitter reuptake assay	ChEMBL.	25221656

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: CHEMBL3331474

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 928475