TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 306.23 | Formula: C17H17Cl2N
H donors: 1 H acceptors: 0 LogP: 4.92 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN[C@@H]1Cc2ccccc2[C@H](C1)c1ccc(c(c1)Cl)Cl
InChi: 1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1
InChiKey: KDERKEZKMQCRPQ-UKRRQHHQSA-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 4	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	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
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	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	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
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
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
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 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
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
Loa Loa (eye worm)	norepinephrine transporter	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 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
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
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
Schistosoma mansoni	sodium/chloride dependent 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 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 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.012	0.0276	0.3085
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0037	0.0021
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.012	0.0276	1
Onchocerca volvulus	Putative organic anion transporter	0.0064	0.0085	0.0813
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0037	0.0021
Onchocerca volvulus		0.012	0.0276	0.3085
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0023	0.0023
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0037	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.012	0.0276	0.3085
Echinococcus granulosus	para nitrobenzyl esterase	0.0046	0.0023	0.0007
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0162	0.0416	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0046	0.0023	0.0007
Echinococcus granulosus	serotonin transporter	0.0292	0.0857	0.0842
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.012	0.0276	0.3085
Plasmodium falciparum	potassium channel	0.012	0.0276	1
Brugia malayi	Carboxylesterase family protein	0.0046	0.0023	0.0083
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Onchocerca volvulus		0.012	0.0276	0.3085
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.0276	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.012	0.0276	0.3085
Onchocerca volvulus		0.012	0.0276	0.3085
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0037	0.0021
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0046	0.0023	0.0007
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.0857	0.0857
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.002	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0857	0.0857
Loa Loa (eye worm)	carboxylesterase	0.0046	0.0023	0.0023
Brugia malayi	Carboxylesterase family protein	0.0046	0.0023	0.0083
Onchocerca volvulus		0.005	0.0037	0.0244
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0318	0.0943	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	TWK-7 protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.027	0.0781	0.0781
Schistosoma mansoni	twik family of potassium channels-related	0.012	0.0276	0.026
Brugia malayi	hypothetical protein	0.0064	0.0085	0.0813
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0046	0.0023	0.0007
Onchocerca volvulus		0.012	0.0276	0.3085
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.0857	0.0842
Loa Loa (eye worm)	TWK-28 protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0037	0.0021
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0037	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0085	0.0085
Toxoplasma gondii	ion channel protein	0.012	0.0276	0.3944
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.0857	0.0842
Echinococcus granulosus	BC026374 protein S09 family	0.0046	0.0023	0.0007
Giardia lamblia	Hypothetical protein	0.012	0.0276	0.5
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.0857	0.0857
Echinococcus multilocularis	potassium channel subfamily K	0.012	0.0276	0.026
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.012	0.0276	0.3085
Schistosoma mansoni	calcium-activated potassium channel	0.012	0.0276	0.026
Echinococcus multilocularis	neuroligin	0.0046	0.0023	0.0007
Loa Loa (eye worm)	carboxylesterase	0.027	0.0781	0.0781
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0037	0.0021
Loa Loa (eye worm)	hypothetical protein	0.1235	0.4048	0.4048
Schistosoma mansoni	hypothetical protein	0.2995	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0037	0.0037
Schistosoma mansoni	twik family of potassium channels-related	0.012	0.0276	0.026
Schistosoma mansoni	copper/topaquinone oxidase	0.0471	0.1462	0.1448
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.012	0.0276	0.3085
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.012	0.0276	0.026
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0016	0.0016
Schistosoma mansoni	hypothetical protein	0.012	0.0276	0.026
Leishmania major	calcium/potassium channel (CAKC), putative	0.012	0.0276	0.5
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.0857	0.5
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0064	0.0085	0.0068
Brugia malayi	hypothetical protein	0.012	0.0276	0.3085
Leishmania major	hypothetical protein, conserved	0.012	0.0276	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.012	0.0276	0.3085
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Onchocerca volvulus		0.012	0.0276	0.3085
Leishmania major	potassium channel subunit-like protein	0.012	0.0276	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.012	0.0276	0.3085
Echinococcus granulosus	tumor protein p63	0.0351	0.1058	0.1043
Onchocerca volvulus		0.005	0.0037	0.0244
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0037	0.0021
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0064	0.0085	0.0068
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Schistosoma mansoni	calcium-activated potassium channel	0.2344	0.7798	0.7795
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.012	0.0276	0.3085
Echinococcus granulosus	neuroligin	0.0046	0.0023	0.0007
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0046	0.0023	0.0007
Brugia malayi	prostaglandin transporter	0.0064	0.0085	0.0813
Brugia malayi	Carboxylesterase family protein	0.027	0.0781	0.91
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0037	0.0021
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.012	0.0276	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.0276	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.012	0.0276	1
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0043	0.0027
Brugia malayi	hypothetical protein	0.0046	0.0023	0.0083
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0037	0.0021
Onchocerca volvulus	Putative organic anion transporter	0.0064	0.0085	0.0813
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0034	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Onchocerca volvulus		0.0046	0.0023	0.0083
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.012	0.0276	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.005	0.0037	0.0037
Onchocerca volvulus		0.0064	0.0085	0.0813
Leishmania major	hypothetical protein, conserved	0.012	0.0276	0.5
Brugia malayi	sodium-independent organic anion transporter family protein	0.0064	0.0085	0.0813
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0037	0.0021
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Toxoplasma gondii	ion channel protein	0.012	0.0276	0.3944
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0085	0.0085
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.012	0.0276	0.3085
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0046	0.0023	0.0007
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.012	0.0276	0.026
Schistosoma mansoni	twik family of potassium channels-related	0.012	0.0276	0.026
Toxoplasma gondii	transporter, major facilitator family protein	0.0064	0.0085	0.104
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	acetylcholinesterase	0.027	0.0781	0.0766
Loa Loa (eye worm)	uncoordinated protein 58	0.012	0.0276	0.0276
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0037	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	serotonin transporter	0.0292	0.0857	0.0842
Trypanosoma cruzi	ion transport protein, putative	0.012	0.0276	1
Echinococcus granulosus	acetylcholinesterase	0.027	0.0781	0.0766
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Onchocerca volvulus		0.012	0.0276	0.3085
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0037	0.0021
Schistosoma mansoni	twik family of potassium channels-related	0.012	0.0276	0.026
Echinococcus multilocularis	calcium activated potassium channel variant	0.012	0.0276	0.026
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.012	0.0276	0.026
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.027	0.0781	0.0781
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	amiloride sensitive amine oxidase	0.0471	0.1462	0.1448
Brugia malayi	Carboxylesterase family protein	0.0046	0.0023	0.0083
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.012	0.0276	0.3085
Echinococcus multilocularis	potassium channel subfamily K 8	0.012	0.0276	0.026
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.0857	0.0857
Echinococcus granulosus	carboxylesterase 5A	0.027	0.0781	0.0766
Brugia malayi	hypothetical protein	0.012	0.0276	0.3085
Onchocerca volvulus		0.0064	0.0085	0.0813
Schistosoma mansoni	twik family of potassium channels-related	0.012	0.0276	0.026
Onchocerca volvulus		0.0064	0.0085	0.0813
Loa Loa (eye worm)	hypothetical protein	0.005	0.0037	0.0037
Brugia malayi	Carboxylesterase family protein	0.027	0.0781	0.91
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0037	0.0021
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0043	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Brugia malayi	sodium-independent organic anion transporter family protein	0.0064	0.0085	0.0813
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0043	0.0043
Mycobacterium ulcerans	ion transport protein	0.012	0.0276	0.2742
Brugia malayi	hypothetical protein	0.0064	0.0085	0.0813
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Schistosoma mansoni	hypothetical protein	0.0471	0.1462	0.1448
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0295	0.0868	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0037	0.0021
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0037	0.0021
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Leishmania major	ion transport protein-like protein	0.012	0.0276	0.5
Onchocerca volvulus		0.0064	0.0085	0.0813
Onchocerca volvulus		0.012	0.0276	0.3085
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0857	0.0857
Onchocerca volvulus		0.0064	0.0085	0.0813
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0034	0.0017
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0037	0.0021
Echinococcus multilocularis	acetylcholinesterase	0.027	0.0781	0.0766
Echinococcus granulosus	potassium channel subfamily K 8	0.012	0.0276	0.026
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.012	0.0276	0.3085
Toxoplasma gondii	hypothetical protein	0.005	0.0037	0.0313
Onchocerca volvulus		0.012	0.0276	0.3085
Mycobacterium ulcerans	transmembrane cation transporter	0.012	0.0276	0.2742
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0064	0.0085	0.0068
Loa Loa (eye worm)	hypothetical protein	0.005	0.0037	0.0037
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.012	0.0276	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0037	0.0244
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0064	0.0085	0.0068
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.012	0.0276	0.3085
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0857	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0531	0.1665	0.1665
Echinococcus multilocularis	carboxylesterase 5A	0.027	0.0781	0.0766
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0037	0.0313
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	para nitrobenzyl esterase	0.0046	0.0023	0.0007
Brugia malayi	Carboxylesterase family protein	0.0046	0.0023	0.0083
Schistosoma mansoni	gliotactin	0.0046	0.0023	0.0007
Schistosoma mansoni	organic anion transporter	0.0064	0.0085	0.0068
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0037	0.0021
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0064	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.002	0.0004
Schistosoma mansoni	twik family of potassium channels-related	0.012	0.0276	0.026
Loa Loa (eye worm)	hypothetical protein	0.005	0.0037	0.0037
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0037	0.0244
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.012	0.0276	0.3085
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.012	0.0276	0.3085
Schistosoma mansoni	acetylcholinesterase	0.0046	0.0023	0.0007
Loa Loa (eye worm)	hypothetical protein	0.005	0.0037	0.0037
Onchocerca volvulus		0.005	0.0037	0.0244
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.012	0.0276	0.0276
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0046	0.0023	0.0007
Onchocerca volvulus		0.0046	0.0023	0.0083
Echinococcus multilocularis	twik family of potassium channels	0.012	0.0276	0.026
Onchocerca volvulus		0.0292	0.0857	1
Plasmodium vivax	potassium channel, putative	0.012	0.0276	1
Onchocerca volvulus		0.0046	0.0023	0.0083
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0126	0.0296	0.6925
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0037	0.0021
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0126	0.0296	0.6925
Schistosoma mansoni	twik family of potassium channels-related	0.012	0.0276	0.026
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.2995	1	1
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.012	0.0276	0.2987
Onchocerca volvulus	Putative organic anion transporter	0.0064	0.0085	0.0813
Schistosoma mansoni	organic anion transporter	0.0064	0.0085	0.0068
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.012	0.0276	0.3085
Schistosoma mansoni	twik family of potassium channels-related	0.012	0.0276	0.026
Echinococcus granulosus	potassium channel subfamily K	0.012	0.0276	0.026
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0037	0.0244
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.027	0.0781	0.0766
Echinococcus granulosus	amiloride sensitive amine oxidase	0.0471	0.1462	0.1448
Toxoplasma gondii	hypothetical protein	0.0238	0.0674	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0037	0.0313
Echinococcus granulosus	potassium channel subfamily K 8	0.012	0.0276	0.026
Schistosoma mansoni	calcium-activated potassium channel	0.012	0.0276	0.026
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Trypanosoma cruzi	ion transport protein, putative	0.012	0.0276	1
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.012	0.0276	0.026
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0046	0.0023	0.0007
Schistosoma mansoni	BC026374 protein (S09 family)	0.0046	0.0023	0.0007
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.012	0.0276	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0023	0.0023
Loa Loa (eye worm)	acetylcholinesterase 1	0.027	0.0781	0.0781
Schistosoma mansoni	calcium-activated potassium channel	0.2995	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0037	0.0244
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0037	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0023	0.0023
Echinococcus multilocularis	potassium channel subfamily K 8	0.012	0.0276	0.026
Echinococcus granulosus	acetylcholinesterase	0.027	0.0781	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0023	0.0023
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0037	0.0021
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.002	0.0004
Toxoplasma gondii	hypothetical protein	0.005	0.0037	0.0313
Brugia malayi	hypothetical protein	0.005	0.0037	0.0244
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.012	0.0276	0.0276
Trypanosoma brucei	calcium-activated potassium channel, putative	0.012	0.0276	0.5
Loa Loa (eye worm)	agrin synaptic family protein	0.0043	0.0016	0.0016
Echinococcus granulosus	twik family of potassium channels	0.012	0.0276	0.026
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Plasmodium vivax	potassium channel, putative	0.012	0.0276	1
Plasmodium falciparum	potassium channel	0.012	0.0276	1
Echinococcus multilocularis	twik family of potassium channels	0.012	0.0276	0.026
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0162	0.0416	1
Onchocerca volvulus		0.0046	0.0023	0.0083
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0318	0.0943	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.012	0.0276	0.3085
Loa Loa (eye worm)	carboxylesterase	0.0046	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.012	0.0276	0.0276
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.0857	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0085	0.0085
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.002	0.002
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0037	0.0021
Brugia malayi	sodium-independent organic anion transporter family protein	0.0064	0.0085	0.0813
Echinococcus multilocularis	tumor protein p63	0.0351	0.1058	0.1043
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0037	0.0021
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.012	0.0276	0.0276
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0037	0.0021
Loa Loa (eye worm)	hypothetical protein	0.1109	0.3619	0.3619
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.012	0.0276	0.6419
Echinococcus multilocularis	small conductance calcium activated potassium	0.2995	1	1
Echinococcus granulosus	twik family of potassium channels	0.012	0.0276	0.026
Onchocerca volvulus		0.0051	0.0043	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0085	0.0085
Echinococcus granulosus	calcium activated potassium channel variant	0.012	0.0276	0.026
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0016	0.0016
Onchocerca volvulus		0.0046	0.0023	0.0083

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 62 nM	Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting	ChEMBL.	21093273
IC50 (binding)	= 117 nM	Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting	ChEMBL.	21093273
IC50 (binding)	= 125 nM	Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting	ChEMBL.	21093273
IC50 (ADMET)	= 1.16 uM	Inhibition of CYP2D6	ChEMBL.	21093273
IC50 (binding)	= 2.32 uM	Inhibition of human ERG	ChEMBL.	21093273
IC50 (ADMET)	= 5.26 uM	Inhibition of CYP2C19	ChEMBL.	21093273
IC50 (ADMET)	> 25 uM	Inhibition of CYP2C9	ChEMBL.	21093273
IC50 (ADMET)	> 25 uM	Inhibition of CYP3A4	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: CHEMBL1642895

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1465667