TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 345.277 | Formula: C18H21BrN2
H donors: 1 H acceptors: 0 LogP: 4.06 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2c1cccc2.Br
InChi: 1S/C18H20N2.BrH/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17;/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2;1H/t17-,18-;/m0./s1
InChiKey: DRYOIZKHXHRZNX-APTPAJQOSA-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
Rattus norvegicus	Norepinephrine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 2 (5-HT2) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine transporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Sodium-dependent noradrenaline 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)	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 multilocularis	serotonin 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
Brugia malayi	Sodium:neurotransmitter symporter family 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
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
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
Loa Loa (eye worm)	solute carrier family 6 member 4	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
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
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
Onchocerca volvulus		Norepinephrine transporter	597 aa	540 aa	46.3 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Norepinephrine transporter	597 aa	513 aa	38.4 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.5 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.0 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	554 aa	38.6 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Norepinephrine transporter	597 aa	569 aa	24.8 %
Loa Loa (eye worm)	hypothetical protein	Norepinephrine transporter	597 aa	551 aa	25.0 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Norepinephrine transporter	597 aa	501 aa	39.7 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 2 (5-HT2) receptor	460 aa	417 aa	21.3 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	522 aa	22.0 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	534 aa	41.0 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	548 aa	24.8 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Norepinephrine transporter	597 aa	577 aa	34.0 %
Plasmodium vivax	amine transporter, putative	Norepinephrine transporter	597 aa	483 aa	21.1 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 2 (5-HT2) receptor	460 aa	409 aa	21.8 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	529 aa	41.6 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	579 aa	35.1 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 2 (5-HT2) receptor	460 aa	408 aa	20.8 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 2 (5-HT2) receptor	460 aa	409 aa	21.5 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 2 (5-HT2) receptor	460 aa	412 aa	19.9 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	595 aa	34.0 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Norepinephrine transporter	597 aa	545 aa	41.7 %
Neospora caninum	sodium-dependent transporter, putative	Norepinephrine transporter	597 aa	507 aa	30.4 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 2 (5-HT2) receptor	460 aa	427 aa	28.3 %
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	Norepinephrine transporter	597 aa	579 aa	22.1 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Norepinephrine transporter	597 aa	551 aa	47.4 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	570 aa	38.6 %
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	Norepinephrine transporter	597 aa	549 aa	41.9 %
Plasmodium yoelii	hypothetical protein	Norepinephrine transporter	597 aa	478 aa	19.7 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	508 aa	32.7 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 2 (5-HT2) receptor	460 aa	405 aa	31.1 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 2 (5-HT2) receptor	460 aa	412 aa	19.7 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	581 aa	34.6 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.015	0.0514
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.017	0.3054
Onchocerca volvulus		0.0083	0.0381	0.203
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0381	0.0381
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.022	0.022
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0046	0.0165	0.0601
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0453	0.2523	0.9164
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0083	0.0381	0.1382
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0186	0.3264
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0186	0.0674
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0072	0.0072
Loa Loa (eye worm)	carboxylesterase	0.0083	0.0381	0.0381
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0165	0.2917
Echinococcus granulosus	BC026374 protein S09 family	0.0083	0.0381	0.1382
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0046	0.0165	0.0601
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0046	0.0165	0.0165
Echinococcus multilocularis	acetylcholinesterase	0.0492	0.2754	1
Brugia malayi	Carboxylesterase family protein	0.0492	0.2754	0.2754
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.1591	0.1591
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus multilocularis	neuroligin	0.0083	0.0381	0.1382
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0165	0.2917
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0046	0.0165	0.0601
Loa Loa (eye worm)	PDE1B protein	0.0046	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0069	0.0069
Echinococcus multilocularis	musashi	0.003	0.0072	0.0263
Brugia malayi	intermediate filament protein	0.003	0.0072	0.0072
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.0227	0.4952
Schistosoma mansoni	hypothetical protein	0.0038	0.0118	0.0429
Brugia malayi	Carboxylesterase family protein	0.0083	0.0381	0.0381
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0186	0.0674
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.022	0.022
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.1591	0.1591
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0046	0.0165	0.0601
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0083	0.0381	0.1382
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0186	0.0186
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0186	0.0186
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0165	0.2917
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0381	0.0381
Onchocerca volvulus		0.005	0.0186	0.0746
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	gliotactin	0.0083	0.0381	0.1382
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0046	0.0165	0.0601
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.017	0.064
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0083	0.0381	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.015	0.2423
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0189	0.0685
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0186	0.0674
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0046	0.0165	0.0601
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0186	1
Onchocerca volvulus		0.005	0.0186	0.0746
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Trypanosoma brucei	protein kinase, putative	0.0057	0.0227	1
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.0227	0.0825
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.0348	0.893
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0381	0.0381
Brugia malayi	Carboxylesterase family protein	0.0083	0.0381	0.0381
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0186	0.0674
Echinococcus multilocularis	acetylcholinesterase	0.0492	0.2754	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0046	0.0165	0.0601
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0186	1
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.1591	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0186	0.0186
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0186	0.0674
Loa Loa (eye worm)	hypothetical protein	0.003	0.0072	0.0072
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.1591	0.5779
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.0348	0.893
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus granulosus	tm gpcr rhodopsin	0.0453	0.2523	0.9164
Loa Loa (eye worm)	carboxylesterase	0.0083	0.0381	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0381	0.0381
Toxoplasma gondii	hypothetical protein	0.005	0.0186	0.3264
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0046	0.0165	0.0165
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0057	0.0227	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0083	0.0381	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Loa Loa (eye worm)	hypothetical protein	0.1696	0.9733	0.9733
Onchocerca volvulus		0.0083	0.0381	0.203
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0381	0.0381
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0186	0.0674
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.0348	0.0348
Echinococcus granulosus	mitogen activated protein kinase	0.0057	0.0227	0.0825
Loa Loa (eye worm)	hypothetical protein	0.005	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0096	0.0096
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0186	0.0674
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0057	0.0227	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Onchocerca volvulus		0.005	0.0186	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0056	0.022	0.022
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0046	0.0165	0.0601
Loa Loa (eye worm)	hypothetical protein	0.005	0.0186	0.0186
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0046	0.0165	0.0601
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Loa Loa (eye worm)	carboxylesterase	0.0492	0.2754	0.2754
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0057	0.0227	1
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0186	0.0674
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0186	0.0674
Echinococcus granulosus	neuroligin	0.0083	0.0381	0.1382
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0492	0.2754	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.015	0.015
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0165	0.0165
Echinococcus granulosus	chromobox protein 1	0.0078	0.0348	0.1264
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0057	0.0227	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0083	0.0381	0.1382
Brugia malayi	Carboxylesterase family protein	0.0083	0.0381	0.0381
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0046	0.0165	0.0601
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0046	0.0165	0.0601
Echinococcus granulosus	para nitrobenzyl esterase	0.0083	0.0381	0.1382
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0165	0.0165
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0186	0.0674
Echinococcus granulosus	carboxylesterase 5A	0.0492	0.2754	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0057	0.0227	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0046	0.0165	0.0601
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0046	0.0165	0.0601
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0046	0.0165	0.0601
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0046	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0292	0.1591	0.1591
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0186	0.0186
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0186	0.0674
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0186	0.0674
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.0227	0.4952
Brugia malayi	Carboxylesterase family protein	0.0083	0.0381	0.0381
Echinococcus granulosus	mitogen activated protein kinase 3	0.0057	0.0227	0.0825
Schistosoma mansoni	chromobox protein	0.0078	0.0348	0.1264
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0186	0.0674
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0083	0.0381	0.1382
Echinococcus multilocularis	para nitrobenzyl esterase	0.0083	0.0381	0.1382
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Loa Loa (eye worm)	hypothetical protein	0.005	0.0186	0.0186
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus multilocularis	lamin	0.003	0.0072	0.0263
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0186	0.0674
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0046	0.0165	0.0601
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0057	0.0227	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0186	0.0186
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0057	0.0227	0.0227
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0186	0.0674
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0046	0.0165	0.0601
Echinococcus granulosus	chromobox protein 1	0.0078	0.0348	0.1264
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Brugia malayi	Carboxylesterase family protein	0.0492	0.2754	0.2754
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0046	0.0165	0.0165
Onchocerca volvulus		0.0083	0.0381	0.203
Echinococcus granulosus	acetylcholinesterase	0.0492	0.2754	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0046	0.0165	0.0165
Brugia malayi	Heterochromatin protein 1	0.0078	0.0348	0.0348
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0046	0.0165	0.0601
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0046	0.0165	0.0601
Echinococcus granulosus	acetylcholinesterase	0.0492	0.2754	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.1591	0.1591
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.1591	0.1591
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.1591	0.5779
Brugia malayi	chromobox protein homolog 3	0.0043	0.015	0.015
Loa Loa (eye worm)	hypothetical protein	0.1742	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0186	0.0186
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Onchocerca volvulus		0.0034	0.0096	0.0155
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0186	0.0674
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.015	0.2423
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0046	0.0165	0.0165
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0186	0.0186
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0186	0.0674
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.1591	0.1591
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0046	0.0165	0.0601
Brugia malayi	hypothetical protein	0.005	0.0186	0.0186
Plasmodium falciparum	transporter, putative	0.005	0.0186	1
Schistosoma mansoni	acetylcholinesterase	0.0083	0.0381	0.1382
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0186	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0381	0.0381
Echinococcus multilocularis	chromobox protein 1	0.0078	0.0348	0.1264
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0186	0.0674
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Loa Loa (eye worm)	hypothetical protein	0.005	0.0186	0.0186
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0072	0.0072
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0083	0.0381	0.1382
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0186	0.5
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0046	0.0165	0.0601
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0072	0.0072
Echinococcus multilocularis	serotonin transporter	0.0292	0.1591	0.5779
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0046	0.0165	0.0601
Echinococcus multilocularis	lamin dm0	0.003	0.0072	0.0263
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0046	0.0165	0.0601
Loa Loa (eye worm)	acetylcholinesterase 1	0.0492	0.2754	0.2754
Echinococcus multilocularis	chromobox protein 1	0.0078	0.0348	0.1264
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0083	0.0381	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.017	0.3054
Giardia lamblia	Kinase, CMGC MAPK	0.0057	0.0227	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0118	0.0118
Schistosoma mansoni	BC026374 protein (S09 family)	0.0083	0.0381	0.1382
Loa Loa (eye worm)	hypothetical protein	0.005	0.0186	0.0186
Echinococcus granulosus	lamin dm0	0.003	0.0072	0.0263
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Brugia malayi	hypothetical protein	0.0083	0.0381	0.0381
Echinococcus granulosus	serotonin transporter	0.0292	0.1591	0.5779
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0046	0.0165	0.0601
Brugia malayi	MAP kinase sur-1	0.0057	0.0227	0.0227
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0046	0.0165	0.0601
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0057	0.0227	0.0825
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0046	0.0165	0.0601
Echinococcus multilocularis	carboxylesterase 5A	0.0492	0.2754	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0186	0.0674
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0186	0.3264
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0046	0.0165	0.2917
Plasmodium vivax	amine transporter, putative	0.005	0.0186	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0083	0.0381	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0046	0.0165	0.2917
Loa Loa (eye worm)	hypothetical protein	0.0492	0.2754	0.2754
Onchocerca volvulus		0.0292	0.1591	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0381	0.0381
Echinococcus granulosus	intermediate filament protein	0.003	0.0072	0.0263
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0046	0.0165	0.0601
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0186	0.0674
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.022	0.022
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.0227	0.4952
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0057	0.0227	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0046	0.0165	0.2917
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0083	0.0381	0.1382
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.005	0.0186	0.0186
Mycobacterium ulcerans	carboxylesterase, LipT	0.0083	0.0381	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0083	0.0381	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0046	0.0165	0.0601
Schistosoma mansoni	intermediate filament proteins	0.003	0.0072	0.0263
Toxoplasma gondii	hypothetical protein	0.005	0.0186	0.3264
Schistosoma mansoni	chromobox protein	0.0078	0.0348	0.1264
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0165	0.0165
Schistosoma mansoni	lamin	0.003	0.0072	0.0263
Onchocerca volvulus		0.0083	0.0381	0.203
Loa Loa (eye worm)	hypothetical protein	0.0292	0.1591	0.1591
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0186	0.3264
Loa Loa (eye worm)	hypothetical protein	0.0492	0.2754	0.2754
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus multilocularis	mitogen activated protein kinase	0.0057	0.0227	0.0825
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0165	0.2917
Echinococcus granulosus	lamin	0.003	0.0072	0.0263
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0057	0.0227	1
Onchocerca volvulus		0.0083	0.0381	0.203
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0083	0.0381	0.1382
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.0227	0.4952
Schistosoma mansoni	lamin	0.003	0.0072	0.0263

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.2 mg kg-1	Antagonism of tetrabenazine(TBZ)-induced depression in mice measured for ptosis	ChEMBL.	3039136
ED50 (functional)	= 0.4 mg kg-1	Inhibition of tetrabenazine(TBZ)-induced ptosis in mice (administered ip)	ChEMBL.	6747993
ED50 (functional)	= 1 mg kg-1	Antagonism of tetrabenazine(TBZ)-induced depression measured in mice by motor activity	ChEMBL.	3039136
ED50 (functional)	= 1.4 mg kg-1	Inhibition of tetrabenazine(TBZ)-induced depression of motor activity (MA) in mice (administered ip)	ChEMBL.	6747993
Inhibition (binding)	= 16 %	Binding affinity towards dopamine receptor D2 at 1.0 uM concentration	ChEMBL.	3039136
Inhibition (functional)	= 17 %	Ability to inhibit the uptake of [3H]- serotonin(5-HT) 0.1 microM concentration at rat brain synaptosomes	ChEMBL.	3039136
Inhibition (binding)	= 36 %	Binding affinity towards serotonin S1 receptor at 1.0 uM	ChEMBL.	3039136
Inhibition (binding)	= 69 %	Binding affinity towards alpha-1 adrenergic receptor at 1.0 uM concentration	ChEMBL.	3039136
Inhibition (functional)	= 77 %	Ability to inhibit the uptake of [3H]-dopamine (DA) 0.1 uM concentration at rat brain synaptosomes	ChEMBL.	3039136
Inhibition (functional)	= 89 %	Ability to inhibit the uptake of [3H]-norepinephrine (NE) 0.1 microM concentration at rat brain synaptosomes	ChEMBL.	3039136
Ki (functional)	= 10 nM	Inhibition of norepinephrine (NE) into rat brain synaptosomes	ChEMBL.	6747993
Ki (binding)	= 29 nM	Binding affinity towards 5-hydroxytryptamine 2 receptor	ChEMBL.	3039136
Ki (functional)	= 30 nM	Inhibition of dopamine (DA) uptake into rat brain synaptosomes	ChEMBL.	6747993
Ki (binding)	> 500 nM	Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes	ChEMBL.	6747993

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.

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External resources for this compound

ChEMBL: CHEMBL1743811

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1527903