TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.632 | Formula: C16H12Cl3NO
H donors: 1 H acceptors: 1 LogP: 4.58 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)C1CNC(=O)C1c1ccc(c(c1)Cl)Cl
InChi: 1S/C16H12Cl3NO/c17-11-3-1-2-9(6-11)12-8-20-16(21)15(12)10-4-5-13(18)14(19)7-10/h1-7,12,15H,8H2,(H,20,21)
InChiKey: KVVQAOOISUGMSL-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

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin 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 japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	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
Schistosoma mansoni	sodium/chloride dependent transporter	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
Loa Loa (eye worm)	norepinephrine 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
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
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin 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 japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Loa Loa (eye worm)	serotonin transporter b	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 noradrenaline transporter, putative	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
Brugia malayi	Sodium:neurotransmitter symporter family protein	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 3	620 aa	579 aa	33.2 %
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 4	630 aa	574 aa	31.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0196	0.0544
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0079	0.0739	0.0739
Schistosoma mansoni	sodium/chloride dependent transporter	0.0079	0.0739	0.0681
Echinococcus granulosus	peregrin	0.0029	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0437	0.5558	0.553
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0236	0.0654
Loa Loa (eye worm)	hypothetical protein	0.017	0.1963	0.1912
Echinococcus multilocularis	protein dispatched 1	0.0052	0.037	0.037
Schistosoma mansoni	hypothetical protein	0.003	0.0073	0.001
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.003	0.0073	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0283	0.0787
Schistosoma mansoni	hypothetical protein	0.0044	0.0261	0.02
Loa Loa (eye worm)	hypothetical protein	0.0467	0.5966	0.5941
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0142	0.1591	0.1591
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0467	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0467	0.0467
Trypanosoma cruzi	hypothetical protein, conserved	0.0212	0.2531	1
Echinococcus multilocularis	serotonin transporter	0.0467	0.5966	0.5966
Schistosoma mansoni	patched 1	0.0045	0.0283	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0739	0.0681
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.048	0.042
Brugia malayi	diacylglycerol kinase	0.003	0.0073	0.0017
Echinococcus granulosus	sodium and chloride dependent glycine	0.0079	0.0739	0.0739
Trypanosoma cruzi	hypothetical protein, conserved	0.003	0.0073	0.0288
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0108	0.1121	0.1065
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0467	0.5969
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0196	0.0544
Schistosoma mansoni	sphingosine kinase A B	0.0767	1	1
Echinococcus granulosus	chromobox protein 1	0.007	0.0607	0.0607
Plasmodium falciparum	amino acid transporter, putative	0.0079	0.0739	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	0.3601	0.3554
Trypanosoma cruzi	hypothetical protein, conserved	0.0212	0.2531	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0079	0.0739	0.0681
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0236	0.0293
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0079	0.0739	0.0681
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0145	0.0083
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0079	0.0739	0.0681
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.003	0.0073	0.0073
Brugia malayi	Niemann-Pick C1 protein precursor	0.0106	0.1099	0.1755
Toxoplasma gondii	hypothetical protein	0.0079	0.0739	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0071	0.0071
Brugia malayi	chromobox protein homolog 3	0.0039	0.0196	0.0226
Loa Loa (eye worm)	hypothetical protein	0.003	0.0073	0.001
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0063	0.0063
Schistosoma mansoni	hypothetical protein	0.0044	0.0261	0.02
Schistosoma mansoni	sodium/chloride dependent transporter	0.0079	0.0739	0.0681
Plasmodium falciparum	transporter, putative	0.0079	0.0739	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	0.3601	0.3554
Trichomonas vaginalis	sphingosine kinase, putative	0.003	0.0073	0.0202
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.2845	0.7901
Leishmania major	diacylglycerol kinase-like protein	0.003	0.0073	0.0288
Echinococcus multilocularis	expressed conserved protein	0.01	0.1012	0.1012
Brugia malayi	CHE-14 protein	0.0045	0.0283	0.0374
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0467	0.0406
Schistosoma mansoni	sphingoid long chain base kinase	0.0767	1	1
Mycobacterium ulcerans	hypothetical protein	0.0767	1	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0079	0.0739	0.0739
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0056	0.0056
Brugia malayi	Heterochromatin protein 1	0.007	0.0607	0.0923
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0142	0.1591	0.1591
Loa Loa (eye worm)	norepinephrine transporter	0.0467	0.5966	0.5941
Echinococcus granulosus	chromobox protein 1	0.007	0.0607	0.0607
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0042	0.0118
Schistosoma mansoni	chromobox protein	0.007	0.0607	0.0548
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0079	0.0739	0.0681
Loa Loa (eye worm)	transcription factor SMAD2	0.0248	0.3008	0.2964
Echinococcus granulosus	Niemann Pick C1 protein	0.0106	0.1099	0.1099
Echinococcus granulosus	Niemann Pick C1 protein	0.0151	0.1712	0.1712
Loa Loa (eye worm)	hypothetical protein	0.003	0.0073	0.001
Echinococcus granulosus	Diacylglycerol kinase theta	0.003	0.0073	0.0073
Echinococcus granulosus	geminin	0.0169	0.1949	0.1949
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.003	0.0073	0.001
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0955	0.0955
Echinococcus multilocularis	Diacylglycerol kinase theta	0.003	0.0073	0.0073
Mycobacterium tuberculosis	Conserved protein	0.0767	1	1
Loa Loa (eye worm)	diacylglycerol kinase 2	0.003	0.0073	0.001
Echinococcus multilocularis	chromobox protein 1	0.007	0.0607	0.0607
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0216	0.0216
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0071	0.0008
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0063	0.0063
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.0739	1
Echinococcus multilocularis	geminin	0.0169	0.1949	0.1949
Brugia malayi	hypothetical protein	0.0079	0.0739	0.1146
Echinococcus multilocularis	protein patched	0.0045	0.0283	0.0283
Schistosoma mansoni	hypothetical protein	0.0169	0.1949	0.1899
Brugia malayi	diacylglycerol kinase	0.003	0.0073	0.0017
Echinococcus multilocularis	chromobox protein 1	0.007	0.0607	0.0607
Mycobacterium ulcerans	diacylglycerol kinase	0.003	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0739	0.0681
Echinococcus multilocularis	ceramide kinase	0.003	0.0073	0.0073
Echinococcus multilocularis	Niemann Pick C1 protein	0.0151	0.1712	0.1712
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0236	0.0654
Plasmodium vivax	diacylglycerol kinase, putative	0.003	0.0073	0.0152
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3601	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0739	0.0681
Echinococcus multilocularis	sphingosine kinase 1	0.0767	1	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0106	0.1099	0.1033
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0073	0.0202
Trypanosoma cruzi	diacylglycerol kinase, putative	0.003	0.0073	0.0288
Schistosoma mansoni	diacylglycerol kinase theta	0.003	0.0073	0.001
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3601	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0079	0.0739	0.0681
Loa Loa (eye worm)	serotonin transporter b	0.0467	0.5966	0.5941
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0421	0.0361
Onchocerca volvulus		0.0079	0.0739	0.1146
Trypanosoma brucei	hypothetical protein, conserved	0.0212	0.2531	1
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.003	0.0073	0.0288
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0079	0.0739	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0467	0.5966	0.5941
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.003	0.0073	0.0152
Onchocerca volvulus	Ceramide kinase 1 homolog	0.003	0.0073	0.0017
Mycobacterium tuberculosis	Diacylglycerol kinase	0.003	0.0073	0.0073
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0079	0.0739	0.0739
Schistosoma mansoni	chromobox protein	0.007	0.0607	0.0548
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0079	0.0739	0.1146
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0042	0.0118
Leishmania major	diacylglycerol kinase, putative	0.003	0.0073	0.0288
Echinococcus granulosus	sodium and chloride dependent glycine	0.0079	0.0739	0.0739
Brugia malayi	Ceramide kinase	0.003	0.0073	0.0017
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0079	0.0739	0.0739
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0467	0.5966	0.5941
Schistosoma mansoni	hypothetical protein	0.0044	0.0261	0.02
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0079	0.0739	1
Echinococcus granulosus	Protein patched homolog 1	0.0045	0.0283	0.0283
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0079	0.0739	0.1146
Brugia malayi	MH2 domain containing protein	0.0248	0.3008	0.4989
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0079	0.0739	0.1146
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0079	0.0739	0.0681
Loa Loa (eye worm)	ceramide kinase	0.003	0.0073	0.001
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.246	0.2412
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0071	0.0118
Echinococcus granulosus	Diacylglycerol kinase zeta	0.003	0.0073	0.0073
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.003	0.0073	0.001
Leishmania major	hypothetical protein, conserved	0.003	0.0073	0.0288
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0145	0.0083
Onchocerca volvulus		0.0236	0.2845	0.4713
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0467	0.0467
Treponema pallidum	sodium- and chloride- dependent transporter	0.0467	0.5966	1
Loa Loa (eye worm)	hypothetical protein	0.0467	0.5966	0.5941
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0607	0.1687
Schistosoma mansoni	hypothetical protein	0.0044	0.0261	0.02
Trichomonas vaginalis	sphingosine kinase, putative	0.003	0.0073	0.0202
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0691	0.0632
Onchocerca volvulus		0.0031	0.0082	0.0033
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0079	0.0739	0.0681
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0145	0.0145
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0079	0.0739	0.0739
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0071	0.0071
Toxoplasma gondii	diacylglycerol kinase, putative	0.003	0.0073	0.0152
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0079	0.0739	0.0681
Trichomonas vaginalis	bmru protein, putative	0.003	0.0073	0.0202
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0955	0.0955
Echinococcus granulosus	tm gpcr rhodopsin	0.0532	0.6838	0.6838
Echinococcus granulosus	ceramide kinase	0.003	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0739	0.0681
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3601	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3601	1
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.003	0.0073	0.0288
Brugia malayi	Eye-specific diacylglycerol kinase	0.003	0.0073	0.0017
Trichomonas vaginalis	diacylglycerol kinase, putative	0.003	0.0073	0.0202
Onchocerca volvulus		0.0079	0.0739	0.1146
Echinococcus granulosus	serotonin transporter	0.0467	0.5966	0.5966
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0071	0.0071
Trypanosoma cruzi	Sphingosine kinase	0.003	0.0073	0.0288
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3601	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0739	0.0681
Giardia lamblia	Fructose-bisphosphate aldolase	0.0292	0.3601	1
Onchocerca volvulus		0.0041	0.0224	0.0273
Schistosoma mansoni	hypothetical protein	0.0169	0.1949	0.1899
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0467	0.0467
Onchocerca volvulus		0.0467	0.5966	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0467	0.1843
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0283	0.0222
Loa Loa (eye worm)	hypothetical protein	0.005	0.0343	0.0282
Plasmodium falciparum	diacylglycerol kinase, putative	0.003	0.0073	0.0152
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3601	1
Leishmania major	hypothetical protein, conserved	0.003	0.0073	0.0288
Onchocerca volvulus	Bile acid receptor homolog	0.017	0.1963	0.3218
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.003	0.0073	0.0288
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0216	0.0216
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3601	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0248	0.3008	0.2964
Brugia malayi	jmjC domain containing protein	0.0095	0.0955	0.1511
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0467	0.5966	0.5941
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0467	0.5966	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0073	0.001
Trichomonas vaginalis	diacylglycerol kinase, putative	0.003	0.0073	0.0202
Plasmodium vivax	diacylglycerol kinase, putative	0.003	0.0073	0.0152
Brugia malayi	Diacylglycerol kinase protein 2	0.003	0.0073	0.0017
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.003	0.0073	0.0152
Plasmodium vivax	amine transporter, putative	0.0079	0.0739	1
Toxoplasma gondii	hypothetical protein	0.0079	0.0739	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0082	0.002
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0079	0.0739	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0079	0.0739	0.0739
Leishmania major	sphingosine kinase A, B, putative	0.003	0.0073	0.0288
Echinococcus multilocularis	sterol regulatory element binding protein	0.0045	0.0283	0.0283
Entamoeba histolytica	hypothetical protein, conserved	0.0767	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0041	0.0224	0.0162
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0467	0.0467
Echinococcus multilocularis	Niemann Pick C1 protein	0.0106	0.1099	0.1099
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0079	0.0739	0.0681
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0045	0.0283	0.0222
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0079	0.0739	0.1146
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0079	0.0739	0.0681
Brugia malayi	ecdysteroid receptor	0.017	0.1963	0.3218
Brugia malayi	jmjC domain containing protein	0.0035	0.0145	0.014
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.003	0.0073	0.001
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0145	0.0083
Plasmodium vivax	SET domain protein, putative	0.003	0.0071	0.0118
Schistosoma mansoni	diacylglycerol kinase theta	0.003	0.0073	0.001
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0196	0.0226
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0467	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1099	0.1043
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0071	0.0008
Echinococcus multilocularis	peregrin	0.0029	0.0063	0.0063
Schistosoma mansoni	sodium/chloride dependent transporter	0.0467	0.5966	0.5941
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0079	0.0739	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0467	0.0467
Onchocerca volvulus		0.0079	0.0739	0.1146
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.3601	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0079	0.0739	0.0739
Echinococcus granulosus	sterol regulatory element binding protein	0.0045	0.0283	0.0283
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.003	0.0073	0.0202
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.0607	0.0548
Trypanosoma cruzi	diacylglycerol kinase, putative	0.003	0.0073	0.0288
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0079	0.0739	0.0739
Loa Loa (eye worm)	hypothetical protein	0.003	0.0071	0.0008
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0071	0.0008
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0607	0.1687
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.003	0.0073	0.0202
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.003	0.0073	0.0202
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0079	0.0739	0.0739
Trichomonas vaginalis	bmru protein, putative	0.003	0.0073	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0437	0.5558	0.553
Onchocerca volvulus		0.003	0.0073	0.0017
Leishmania major	hypothetical protein, conserved	0.0212	0.2531	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0079	0.0739	1
Brugia malayi	Pre-SET motif family protein	0.003	0.0071	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0196	0.0134
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0532	0.6838	0.6838
Brugia malayi	Pre-SET motif family protein	0.0207	0.246	0.406
Plasmodium falciparum	diacylglycerol kinase, putative	0.003	0.0073	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0739	0.0681
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0142	0.1591	0.5
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0739	0.0681
Trypanosoma cruzi	Sphingosine kinase	0.003	0.0073	0.0288
Brugia malayi	hypothetical protein	0.003	0.0073	0.0017
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.003	0.0073	0.0073
Echinococcus granulosus	expressed conserved protein	0.01	0.1012	0.1012

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 171.9 nM	Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 cells	ChEMBL.	24012181
IC50 (binding)	= 2745 nM	Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog MDCK cells	ChEMBL.	24012181
IC50 (binding)	= 3757 nM	Displacement of [3H]imipramin from human recombinant SERT over-expressed in HEK293 cells	ChEMBL.	24012181
Inhibition (binding)	= 40.9 %	Inhibition of human SERT-mediated serotonin uptake expressed in HEK293 cells at 10 uM after 15 mins by fluorescence plate reader analysis	ChEMBL.	24012181
Inhibition (binding)	= 44.5 %	Inhibition of human NET-mediated norepinephrine uptake expressed in HEK293 cells at 10 uM after 15 mins by fluorescence plate reader analysis	ChEMBL.	24012181
Inhibition (binding)	= 71 %	Displacement of [3H]imipramin from human recombinant SERT over-expressed in HEK293 cells at 10 uM	ChEMBL.	24012181
Inhibition (binding)	= 78 %	Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog MDCK cells at 10 uM	ChEMBL.	24012181
Inhibition (binding)	= 89.7 %	Inhibition of human DAT-mediated dopamine uptake expressed in HEK293 cells at 10 uM after 15 mins by fluorescence plate reader analysis	ChEMBL.	24012181
Inhibition (binding)	= 99 %	Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 cells at 10 uM	ChEMBL.	24012181

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: CHEMBL2430686

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1783227