TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 477.531 | Formula: C26H28FN5O3
H donors: 3 H acceptors: 3 LogP: 3.06 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)CN1CCC(CC1)CNc1cc(nc(c1)c1ccc(cc1)Oc1ccc(cc1)F)C(=O)N
InChi: 1S/C26H28FN5O3/c27-19-3-7-22(8-4-19)35-21-5-1-18(2-6-21)23-13-20(14-24(31-23)26(29)34)30-15-17-9-11-32(12-10-17)16-25(28)33/h1-8,13-14,17H,9-12,15-16H2,(H2,28,33)(H2,29,34)(H,30,31)
InChiKey: KXSWRDZXDKTSGC-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	sodium channel, voltage-gated, type IX, alpha subunit	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania braziliensis	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus multilocularis	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania mexicana	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania major	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania donovani	calcium channel protein, putative	Get druggable targets OG5_126819	All targets in OG5_126819

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
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.002	0.0582	0.2583
Loa Loa (eye worm)	sugar transporter	0.001	0.0201	0.0894
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.002	0.0582	0.2583
Onchocerca volvulus		0.001	0.0201	0.5
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0021	0.0597	0.0903
Giardia lamblia	Lysyl-tRNA synthetase	0.0015	0.0399	0.6849
Echinococcus granulosus	lysyl tRNA synthetase	0.0015	0.0399	0.1769
Loa Loa (eye worm)	hypothetical protein	0.002	0.0582	0.2583
Echinococcus granulosus	solute carrier family 22	0.001	0.0201	0.0894
Brugia malayi	hypothetical protein	0.001	0.0201	0.0894
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0013	0.0318	0.5469
Onchocerca volvulus		0.001	0.0201	0.5
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0021	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0021	0.0606	0.8651
Brugia malayi	Major Facilitator Superfamily protein	0.001	0.0201	0.0894
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.002	0.0582	1
Trypanosoma cruzi	hexose transporter, putative	0.001	0.0201	0.2874
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Mycobacterium ulcerans	integral membrane transport protein	0.001	0.0201	0.5052
Schistosoma mansoni	sugar transporter	0.001	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.001	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.001	0.0201	0.0894
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.002	0.0582	0.2583
Plasmodium falciparum	hexose transporter	0.0068	0.2253	0.2253
Trypanosoma brucei	glucose transporter, putative	0.0021	0.0606	0.8651
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0021	0.0597	0.8517
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0021	0.0597	0.2648
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0015	0.0399	1
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.001	0.0201	0.1387
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Leishmania major	protein kinase, putative	0.0021	0.0597	0.411
Onchocerca volvulus		0.001	0.0201	0.5
Schistosoma mansoni	protein kinase	0.0021	0.0597	0.2648
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0015	0.0399	0.1769
Schistosoma mansoni	lysyl-tRNA synthetase	0.0015	0.0399	0.1769
Treponema pallidum	prolyl-tRNA synthetase	0.0007	0.0119	1
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0015	0.0399	0.5689
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0024	0.0701	0.4826
Echinococcus granulosus	synaptic vesicle 2 protein	0.001	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST3	0.001	0.0201	0.0305
Toxoplasma gondii	sugar transporter ST1	0.001	0.0201	0.0305
Trichomonas vaginalis	glucose transporter, putative	0.001	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0021	0.0606	0.8651
Onchocerca volvulus		0.001	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Entamoeba histolytica	protein kinase, putative	0.0021	0.0597	1
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Onchocerca volvulus		0.001	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Brugia malayi	lysyl-tRNA synthetase	0.0015	0.0399	0.1769
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0013	0.0318	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Giardia lamblia	Hexose transporter	0.001	0.0201	0.346
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0021	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Brugia malayi	hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Echinococcus granulosus	calcium dependent protein kinase	0.002	0.0552	0.2448
Schistosoma mansoni	protein kinase	0.0021	0.0597	0.2648
Leishmania major	hypothetical protein, conserved	0.001	0.0201	0.1387
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0021	0.0606	0.8651
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0068	0.2253	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0021	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0021	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0399	0.1769
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0068	0.2253	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0068	0.2253	0.3408
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Chlamydia trachomatis	proline--tRNA ligase	0.0007	0.0119	0.2978
Onchocerca volvulus		0.001	0.0201	0.5
Echinococcus multilocularis	lysyl tRNA synthetase	0.0015	0.0399	0.1769
Echinococcus multilocularis	calcium dependent protein kinase	0.002	0.0552	0.2448
Onchocerca volvulus		0.001	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.001	0.0201	0.0305
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.002	0.0582	0.2583
Plasmodium vivax	hexose transporter	0.0068	0.2253	0.2253
Trypanosoma brucei	glucose transporter 1E	0.0021	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0021	0.0606	0.269
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0021	0.0597	0.0903
Loa Loa (eye worm)	hypothetical protein	0.002	0.0582	0.2583
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0021	0.0597	0.0597
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0024	0.0701	1
Chlamydia trachomatis	lysine--tRNA ligase	0.0015	0.0399	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0021	0.0606	0.8651
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.002	0.0582	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Onchocerca volvulus		0.001	0.0201	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0024	0.0701	1
Leishmania major	glucose transporter, lmgt3	0.0021	0.0606	0.4175
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0021	0.0606	0.8651
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0021	0.0597	0.0597
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0068	0.2253	1
Schistosoma mansoni	hypothetical protein	0.0068	0.2253	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.002	0.0582	0.9752
Trichomonas vaginalis	sugar transporter, putative	0.0021	0.0606	0.269
Trypanosoma brucei	sugar transporter, putative	0.001	0.0201	0.2874
Schistosoma mansoni	glucose transporter	0.001	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0012	0.027	0.386
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0024	0.0701	1
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Onchocerca volvulus		0.001	0.0201	0.5
Brugia malayi	major facilitator superfamily protein	0.001	0.0201	0.0894
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0024	0.0701	0.4826
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.001	0.0201	0.6328
Trypanosoma brucei	glucose transporter, putative	0.0021	0.0606	0.8651
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0021	0.0597	0.2648
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0068	0.2253	1
Loa Loa (eye worm)	sugar transporter	0.0068	0.2253	1
Trichomonas vaginalis	myo-inositol transporter, putative	0.001	0.0201	0.0894
Entamoeba histolytica	protein kinase, putative	0.0021	0.0597	1
Trichomonas vaginalis	glucose transporter, putative	0.0021	0.0606	0.269
Schistosoma mansoni	glucose transport protein	0.0068	0.2253	1
Toxoplasma gondii	protein kinase, putative	0.0193	0.6612	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0021	0.0597	0.0903
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Leishmania major	glucose transporter, lmgt2	0.0021	0.0606	0.4175
Schistosoma mansoni	glucose transport protein	0.0068	0.2253	1
Trypanosoma brucei	glucose transporter, putative	0.0021	0.0606	0.8651
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0015	0.0399	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0021	0.0606	0.8651
Plasmodium vivax	lysine--tRNA ligase, putative	0.0015	0.0399	0.0399
Schistosoma mansoni	sugar transporter	0.001	0.0201	0.0894
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.001	0.0201	0.2874
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0606	0.269
Brugia malayi	major facilitator superfamily protein	0.001	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0068	0.2253	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transport protein, putative	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0021	0.0606	0.269
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0597	0.2648
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0021	0.0597	0.2648
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0021	0.0597	0.2648
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.002	0.0582	0.2583
Onchocerca volvulus		0.001	0.0201	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0606	0.269
Toxoplasma gondii	sugar transporter ST2	0.001	0.0201	0.0305
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0013	0.0318	1
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0045	0.1452	1
Echinococcus multilocularis	calcium activated potassium channel	0.0004	0.0014	0.0062
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trypanosoma cruzi	glucose transporter, putative	0.001	0.0201	0.2874
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.001	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0021	0.0597	0.2648
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.001	0.0201	0.6328
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0021	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Echinococcus multilocularis	sodium channel protein	0.0045	0.1452	0.6443
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0448	0.1987
Echinococcus multilocularis	solute carrier family 22	0.001	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.001	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Trypanosoma brucei	glucose transporter 2A	0.0021	0.0606	0.8651
Trichomonas vaginalis	glucose transporter, putative	0.0021	0.0606	0.269
Onchocerca volvulus	Putative transporter	0.001	0.0201	0.5
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.001	0.0201	0.0201
Schistosoma mansoni	protein kinase	0.0021	0.0597	0.2648
Echinococcus multilocularis	solute carrier family 22	0.001	0.0201	0.0894
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.001	0.0201	0.5052
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0021	0.0597	0.0597
Plasmodium falciparum	lysine--tRNA ligase	0.0015	0.0399	0.0399
Echinococcus granulosus	solute carrier family 22	0.001	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.001	0.0201	0.0894
Onchocerca volvulus		0.001	0.0201	0.5
Trypanosoma cruzi	hexose transporter	0.0021	0.0606	0.8651
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.002	0.0582	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Echinococcus granulosus	General substrate transporter	0.0059	0.1918	0.851
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0021	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0068	0.2253	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0201	0.0894
Onchocerca volvulus		0.001	0.0201	0.5
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0289	1	1
Echinococcus granulosus	sodium channel protein	0.0045	0.1452	0.6443
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0201	0.0894
Echinococcus granulosus	Sugar transporter ERD6 protein	0.001	0.0201	0.0894
Leishmania major	lysyl-tRNA synthetase, putative	0.0015	0.0399	0.2745
Giardia lamblia	Prolyl-tRNA synthetase	0.002	0.0582	1
Schistosoma mansoni	glucose transport protein	0.0068	0.2253	1
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0008	0.016	0.0709
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.001	0.0201	0.0894
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.011	0.3724	0.5632
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.001	0.0201	0.5052
Plasmodium vivax	sugar transporter, putative	0.001	0.0201	0.0201
Giardia lamblia	Sugar-proton symporter	0.001	0.0201	0.346
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.001	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0068	0.2253	1
Onchocerca volvulus		0.001	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0021	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0021	0.0606	0.8651
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0021	0.0597	0.2648
Trypanosoma brucei	glucose transporter, putative	0.0021	0.0606	0.8651
Trichomonas vaginalis	CAMK family protein kinase	0.0021	0.0597	0.2648
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0021	0.0597	0.2648
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0021	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Plasmodium falciparum	mitogen-activated protein kinase 2	0.011	0.3724	0.3724
Onchocerca volvulus		0.001	0.0201	0.5
Leishmania major	glucose transporter, lmgt1	0.0021	0.0606	0.4175
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0013	0.0333	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0597	0.2648
Echinococcus granulosus	solute carrier family 22	0.001	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.2253	1
Toxoplasma gondii	lysine-tRNA ligase	0.0015	0.0399	0.0603
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0024	0.0701	0.106
Plasmodium falciparum	proline--tRNA ligase	0.0024	0.0701	0.0701
Trypanosoma brucei	glucose transporter, putative	0.0021	0.0606	0.8651
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0015	0.0399	0.6849
Entamoeba histolytica	hypothetical protein	0.0015	0.0399	0.6679
Plasmodium vivax	proline--tRNA ligase, putative	0.0024	0.0701	0.0701
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Brugia malayi	Cam kinase protein 1	0.0021	0.0597	0.2648
Loa Loa (eye worm)	major facilitator superfamily transporter	0.001	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.001	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0068	0.2253	1
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.001	0.0201	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0015	0.0399	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.001	0.0201	0.0894
Brugia malayi	hypothetical protein	0.001	0.0201	0.0894
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0015	0.0399	0.5689
Onchocerca volvulus		0.001	0.0201	0.5
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0068	0.2253	1
Echinococcus multilocularis	General substrate transporter	0.0059	0.1918	0.851
Loa Loa (eye worm)	hypothetical protein	0.001	0.0201	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.001	0.0201	0.0894
Trypanosoma cruzi	sugar transporter, putative	0.001	0.0201	0.2874
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0007	0.0119	0.2978
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0021	0.0597	0.0597
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0045	0.1452	0.6443
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.011	0.3724	0.3724
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0021	0.0606	0.4175
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0021	0.0597	0.0597
Plasmodium falciparum	protein kinase 7	0.0193	0.6612	0.6612
Echinococcus multilocularis	synaptic vesicle 2 protein	0.001	0.0201	0.0894
Mycobacterium ulcerans	sugar transporter	0.001	0.0201	0.5052
Brugia malayi	Major Facilitator Superfamily protein	0.001	0.0201	0.0894
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0021	0.0597	0.0597
Trypanosoma cruzi	hexose transporter, putative	0.0021	0.0606	0.8651
Echinococcus granulosus	calcium activated potassium channel	0.0004	0.0014	0.0062
Onchocerca volvulus		0.001	0.0201	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 200 nM	BindingDB_Patents: FLIPR Assay. Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM__002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.Non-Recombinant Cell Lines Expressing Native Nav1.	ChEMBL.	No reference

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: CHEMBL3688028

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1986397