TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 306.23 | Formula: C17H17Cl2N
H donors: 1 H acceptors: 0 LogP: 4.6 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NC[C@H]1Cc2ccccc2[C@H](C1)c1ccc(c(c1)Cl)Cl
InChi: 1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m0/s1
InChiKey: AUOZLNRXVPELRP-XHDPSFHLSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0064	0.0578	0.0578
Echinococcus multilocularis	neurogenic locus protein delta	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Schistosoma mansoni	hypothetical protein	0.0064	0.0578	0.0578
Schistosoma mansoni	notch	0.0064	0.0578	0.0578
Brugia malayi	Calcium binding EGF domain containing protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Onchocerca volvulus		0.0064	0.0578	0.0578
Brugia malayi	EGF-like domain containing protein	0.0064	0.0578	0.0578
Onchocerca volvulus		0.0239	0.781	0.781
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0064	0.0578	0.0578
Echinococcus multilocularis	notch	0.0064	0.0578	0.0578
Brugia malayi	Animal haem peroxidase family protein	0.0239	0.781	0.781
Echinococcus granulosus	neurogenic locus protein delta	0.0064	0.0578	0.0578
Schistosoma mansoni	notch	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.7699	0.5
Onchocerca volvulus		0.0064	0.0578	0.0578
Schistosoma mansoni	notch	0.0064	0.0578	0.0578
Echinococcus granulosus	neurogenic locus notch protein	0.0064	0.0578	0.0578
Onchocerca volvulus		0.0064	0.0578	0.0578
Onchocerca volvulus	Peroxidasin homolog	0.0239	0.781	0.781
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Brugia malayi	Animal haem peroxidase family protein	0.0239	0.781	0.781
Echinococcus multilocularis	protein jagged 1	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Brugia malayi	Calcium binding EGF domain containing protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Onchocerca volvulus		0.0239	0.781	0.781
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	1	1
Brugia malayi	hypothetical protein	0.0239	0.781	0.781
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Schistosoma mansoni	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.005	0.0006	0.0006
Brugia malayi	EGF-like domain containing protein	0.0064	0.0578	0.0578
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	1	0.5
Onchocerca volvulus		0.0064	0.0578	0.0578
Schistosoma mansoni	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	animal heme peroxidase	0.0239	0.781	0.781
Loa Loa (eye worm)	animal heme peroxidase	0.0239	0.781	0.781
Brugia malayi	EGF-like domain containing protein	0.0064	0.0578	0.0578
Schistosoma mansoni	peroxidasin	0.0239	0.781	0.781
Onchocerca volvulus	Chorion peroxidase homolog	0.0239	0.781	0.781
Plasmodium falciparum	amino acid transporter, putative	0.005	0	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Schistosoma mansoni	peroxidasin	0.0239	0.781	0.781
Schistosoma mansoni	notch	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Echinococcus multilocularis	slit 2 protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	notch protein	0.0064	0.0578	0.0578
Onchocerca volvulus	Slit protein homolog	0.0064	0.0578	0.0578
Onchocerca volvulus	Peroxidase homolog	0.0239	0.781	0.781
Loa Loa (eye worm)	serotonin transporter b	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Brugia malayi	Pre-SET motif family protein	0.0208	0.6516	0.6516
Echinococcus granulosus	protein jagged 1	0.0064	0.0578	0.0578
Echinococcus multilocularis	fibropellin Ia	0.0064	0.0578	0.0578
Onchocerca volvulus	Peroxidasin homolog	0.0239	0.781	0.781
Onchocerca volvulus		0.0064	0.0578	0.0578
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0064	0.0578	0.0578
Echinococcus granulosus	notch	0.0064	0.0578	0.0578
Echinococcus granulosus	protein jagged 2	0.0064	0.0578	0.0578
Loa Loa (eye worm)	Notch2	0.0064	0.0578	0.0578
Onchocerca volvulus		0.0239	0.781	0.781
Echinococcus multilocularis	protein jagged 1	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Echinococcus multilocularis	peroxidasin	0.0239	0.781	0.781
Loa Loa (eye worm)	blistered cuticle protein 3	0.0239	0.781	0.781
Brugia malayi	Animal haem peroxidase family protein	0.0239	0.781	0.781
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Echinococcus granulosus	protein jagged 2	0.0064	0.0578	0.0578
Schistosoma mansoni	hypothetical protein	0.0064	0.0578	0.0578
Brugia malayi	Cadherin domain containing protein	0.0064	0.0578	0.0578
Brugia malayi	Cadherin domain containing protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Brugia malayi	notch-like transmembrane receptor	0.0064	0.0578	0.0578
Echinococcus granulosus	neural cadherin	0.0064	0.0578	0.0578
Brugia malayi	Peroxidasin	0.0239	0.781	0.781
Schistosoma mansoni	notch	0.0064	0.0578	0.0578
Onchocerca volvulus	Dual oxidase homolog	0.0239	0.781	0.781
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Brugia malayi	Delta serrate ligand family protein	0.0064	0.0578	0.0578
Brugia malayi	EGF-like domain containing protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Toxoplasma gondii	EGF family domain-containing protein	0.0064	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Brugia malayi	GCC2 and GCC3 family protein	0.0064	0.0578	0.0578
Echinococcus granulosus	slit 2 protein	0.0064	0.0578	0.0578
Brugia malayi	Calcium binding EGF domain containing protein	0.0064	0.0578	0.0578
Brugia malayi	EGF-like domain containing protein	0.0064	0.0578	0.0578
Echinococcus multilocularis	neurogenic locus notch protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Echinococcus granulosus	delta-like protein 1	0.0064	0.0578	0.0578
Giardia lamblia	High cysteine protein	0.0064	0.0578	0.5
Echinococcus granulosus	neurogenic locus notch protein	0.0064	0.0578	0.0578
Echinococcus multilocularis	neural cadherin	0.0064	0.0578	0.0578
Schistosoma mansoni	cell polarity protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Brugia malayi	Animal haem peroxidase family protein	0.0239	0.781	0.781
Loa Loa (eye worm)	norepinephrine transporter	0.0292	1	1
Schistosoma mansoni	laminin gamma-3 chain	0.0064	0.0578	0.0578
Plasmodium vivax	hypothetical protein, conserved	0.005	0	0.5
Onchocerca volvulus	Peroxidase homolog	0.0239	0.781	0.781
Loa Loa (eye worm)	animal heme peroxidase	0.0239	0.781	0.781
Onchocerca volvulus		0.0292	1	1
Echinococcus granulosus	protein jagged 1	0.0064	0.0578	0.0578
Schistosoma mansoni	hypothetical protein	0.0064	0.0578	0.0578
Brugia malayi	EGF-like domain containing protein	0.0064	0.0578	0.0578
Echinococcus granulosus	neurogenic locus notch protein 4	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Echinococcus multilocularis	neurogenic locus notch protein	0.0064	0.0578	0.0578
Echinococcus multilocularis	neurogenic locus protein delta	0.0064	0.0578	0.0578
Onchocerca volvulus	Putative cubilin	0.0064	0.0578	0.0578
Schistosoma mansoni	slit	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Brugia malayi	Blistered cuticle protein 3	0.0239	0.781	0.781
Echinococcus granulosus	fibropellin Ia	0.0064	0.0578	0.0578
Echinococcus multilocularis	serotonin transporter	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Echinococcus multilocularis	protein jagged 2	0.0064	0.0578	0.0578
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0006	0.0006
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.6516	0.6516
Onchocerca volvulus	Neurogenic locus notch homolog	0.0064	0.0578	0.0578
Schistosoma mansoni	septate junction protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0064	0.0578	0.0578
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0006	0.0006
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0064	0.0578	0.0578
Loa Loa (eye worm)	animal heme peroxidase	0.0239	0.781	0.781
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Plasmodium vivax	amine transporter, putative	0.005	0	0.5
Onchocerca volvulus		0.0236	0.7699	0.7699
Brugia malayi	Animal haem peroxidase family protein	0.0239	0.781	0.781
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Echinococcus granulosus	serotonin transporter	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0239	0.781	0.781
Schistosoma mansoni	notch	0.0064	0.0578	0.0578
Brugia malayi	EGF-like domain containing protein	0.0064	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0578	0.0578
Brugia malayi	Muscle positioning protein 4	0.0064	0.0578	0.0578
Echinococcus granulosus	peroxidasin	0.0239	0.781	0.781
Plasmodium falciparum	transporter, putative	0.005	0	0.5
Schistosoma mansoni	hypothetical protein	0.0064	0.0578	0.0578

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 19 nM	Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting	ChEMBL.	21093273
IC50 (binding)	= 111 nM	Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting	ChEMBL.	21093273
IC50 (binding)	= 257 nM	Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting	ChEMBL.	21093273

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: CHEMBL1642903

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 1488043