TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 473.597 | Formula: C31H33F2NO
H donors: 0 H acceptors: 0 LogP: 6.87 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C(c1ccc(cc1)F)OC/C=C/1\CC2CCC(C1)N2CCCc1ccccc1
InChi: 1S/C31H33F2NO/c32-27-12-8-25(9-13-27)31(26-10-14-28(33)15-11-26)35-20-18-24-21-29-16-17-30(22-24)34(29)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,18,29-31H,4,7,16-17,19-22H2
InChiKey: UVEZCGSQMOEHNU-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
Rattus norvegicus	Dopamine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 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 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
Loa Loa (eye worm)	hypothetical protein	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
Echinococcus multilocularis	serotonin 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
Onchocerca volvulus		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)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	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
Loa Loa (eye worm)	serotonin transporter b	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	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
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
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	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
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Serotonin transporter	630 aa	585 aa	34.2 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Serotonin transporter	630 aa	581 aa	40.1 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	552 aa	41.5 %
Neospora caninum	sodium-dependent transporter, putative	Dopamine transporter	619 aa	498 aa	32.3 %
Onchocerca volvulus		Serotonin transporter	630 aa	611 aa	26.4 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Serotonin transporter	630 aa	520 aa	36.2 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Serotonin transporter	630 aa	638 aa	25.1 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Serotonin transporter	630 aa	629 aa	47.1 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Serotonin transporter	630 aa	571 aa	31.2 %
Echinococcus granulosus	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	582 aa	35.2 %
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	Dopamine transporter	619 aa	604 aa	37.9 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	605 aa	37.7 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	509 aa	28.3 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	30.9 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	31.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	FTZ F1 alpha	0.0041	0.0236	0.0399
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0332	0.0413
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0028	0.0059	0.0626
Brugia malayi	nuclear receptor NHR-88	0.0041	0.0236	0.0293
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Giardia lamblia	Aldose reductase	0.0096	0.0942	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0041	0.0236	0.0293
Onchocerca volvulus		0.0057	0.0432	0.1716
Onchocerca volvulus		0.0057	0.0432	0.1716
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0057	0.0432	0.4227
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0293
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.0192	0.2197	0.537
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Brugia malayi	nuclear hormone receptor	0.0041	0.0236	0.0293
Mycobacterium leprae	Possible oxidoreductase	0.0028	0.0059	0.0626
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0182	0.2067	0.2571
Loa Loa (eye worm)	animal heme peroxidase	0.0035	0.0155	0.0193
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Echinococcus multilocularis	FTZ F1 alpha	0.0041	0.0236	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0432	0.0538
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Brugia malayi	Nuclear hormone receptor-like 1	0.0041	0.0236	0.0293
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0041	0.0236	0.0178
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0031	0.0101	0.5
Loa Loa (eye worm)	hypothetical protein	0.0335	0.404	0.5024
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0236	0.0293
Onchocerca volvulus		0.0031	0.0101	0.04
Brugia malayi	hypothetical protein	0.0031	0.0101	0.0125
Brugia malayi	Animal haem peroxidase family protein	0.0035	0.0155	0.0193
Schistosoma mansoni	peroxidasin	0.0035	0.0155	0.0241
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0218	0.016
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0293
Echinococcus multilocularis	transfer RNA-Lys	0.0049	0.0336	0.0279
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.0942	1
Loa Loa (eye worm)	serotonin transporter b	0.0182	0.2067	0.2571
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0432	0.0538
Entamoeba histolytica	hypothetical protein	0.004	0.0218	0.2318
Brugia malayi	Steroid receptor seven-up type 2	0.0041	0.0236	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Brugia malayi	hypothetical protein	0.0035	0.0155	0.0193
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.0942	0.1172
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0101	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Echinococcus multilocularis	jun protein	0.0277	0.3291	0.3251
Echinococcus granulosus	para nitrobenzyl esterase	0.0057	0.0432	0.0843
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0218	0.0401
Schistosoma mansoni	aldo-keto reductase	0.0096	0.0942	0.2219
Onchocerca volvulus	Dual oxidase homolog	0.0035	0.0155	0.0615
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0101	0.0105
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0041	0.0236	0.0293
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0041	0.0236	0.0444
Schistosoma mansoni	hypothetical protein	0.0185	0.2099	0.5125
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.0942	0.1172
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.0942	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0041	0.0236	0.0293
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0041	0.0236	0.0444
Echinococcus granulosus	carboxylesterase 5A	0.0335	0.404	0.8986
Echinococcus multilocularis	tumor protein p63	0.0369	0.4489	0.4457
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0236	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0143	0.1552	0.193
Echinococcus granulosus	aldo keto reductase	0.0096	0.0942	0.1994
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0028	0.0059	0.0073
Plasmodium vivax	amine transporter, putative	0.0031	0.0101	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0041	0.0236	0.0935
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0041	0.0236	0.0399
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0041	0.0236	0.0444
Schistosoma mansoni	BC026374 protein (S09 family)	0.0057	0.0432	0.0938
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0031	0.0101	0.0095
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.0942	0.1172
Onchocerca volvulus		0.0096	0.0942	0.374
Echinococcus granulosus	BC026374 protein S09 family	0.0057	0.0432	0.0843
Onchocerca volvulus		0.0217	0.2519	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0293
Schistosoma mansoni	nuclear hormone receptor	0.0041	0.0236	0.0444
Brugia malayi	NADH-dependent xylose reductase	0.0028	0.0059	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1328	0.1652
Trypanosoma cruzi	aldo/keto reductase, putative	0.0096	0.0942	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0041	0.0236	0.0444
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0031	0.0101	0.0042
Brugia malayi	steroid hormone receptor	0.0041	0.0236	0.0293
Brugia malayi	hypothetical protein	0.004	0.0218	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0031	0.0101	0.0125
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0028	0.0059	0.0626
Echinococcus granulosus	acetylcholinesterase	0.0335	0.404	0.8986
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0335	0.404	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0057	0.0432	0.0376
Echinococcus multilocularis	ecdysone induced protein 78C	0.0041	0.0236	0.0178
Echinococcus granulosus	geminin	0.0185	0.2099	0.4605
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Plasmodium falciparum	amino acid transporter, putative	0.0031	0.0101	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Echinococcus granulosus	aryl hydrocarbon receptor	0.0143	0.1559	0.3386
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1335	0.1661
Trypanosoma brucei	prostaglandin f synthase	0.0096	0.0942	1
Loa Loa (eye worm)	animal heme peroxidase	0.0035	0.0155	0.0193
Onchocerca volvulus		0.0041	0.0236	0.0935
Giardia lamblia	Aldose reductase	0.0096	0.0942	0.5
Echinococcus multilocularis	aldehyde reductase	0.0068	0.0582	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0101	0.0125
Schistosoma mansoni	thyroid hormone receptor	0.0041	0.0236	0.0444
Echinococcus multilocularis	aldo keto reductase	0.0096	0.0942	0.0889
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Brugia malayi	bHLH-PAS transcription factor	0.0049	0.0336	0.0418
Plasmodium falciparum	transporter, putative	0.0031	0.0101	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0101	0.0125
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0101	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0218	0.036
Onchocerca volvulus	Peroxidase homolog	0.0035	0.0155	0.0615
Trypanosoma cruzi	aldo-keto reductase	0.0096	0.0942	1
Echinococcus granulosus	aldo keto reductase	0.0096	0.0942	0.1994
Onchocerca volvulus		0.0096	0.0942	0.374
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0101	0.0105
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.0942	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0432	0.0538
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0031	0.0101	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0269	0.3192	0.397
Echinococcus multilocularis	aldo keto reductase	0.0096	0.0942	0.0889
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0041	0.0236	0.0399
Brugia malayi	Animal haem peroxidase family protein	0.0035	0.0155	0.0193
Entamoeba histolytica	aldose reductase, putative	0.0096	0.0942	1
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0031	0.0101	0.0105
Onchocerca volvulus		0.0031	0.0101	0.04
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0059	0.0626
Schistosoma mansoni	hypothetical protein	0.0225	0.2618	0.6428
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0277	0.3291	0.3251
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0101	0.0474
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.0236	0.0293
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0041	0.0236	0.0399
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.0942	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0031	0.0101	0.0095
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0031	0.0101	0.0095
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0031	0.0101	0.0095
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0101	0.0125
Echinococcus multilocularis	acetylcholinesterase	0.0335	0.404	0.4005
Brugia malayi	PAS domain containing protein	0.0066	0.056	0.0697
Echinococcus granulosus	aldehyde reductase	0.0068	0.0582	0.1181
Entamoeba histolytica	aldose reductase, putative	0.0096	0.0942	1
Echinococcus granulosus	aldo keto reductase	0.0096	0.0942	0.1994
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0293
Loa Loa (eye worm)	acetylcholinesterase 1	0.0335	0.404	0.5024
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0432	0.0538
Schistosoma mansoni	retinoic acid receptor RXR	0.0041	0.0236	0.0444
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Schistosoma mansoni	RAR-like nuclear receptor	0.0041	0.0236	0.0444
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0031	0.0101	0.0125
Brugia malayi	Animal haem peroxidase family protein	0.0035	0.0155	0.0193
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0031	0.0101	0.0105
Schistosoma mansoni	acetylcholinesterase	0.0057	0.0432	0.0938
Loa Loa (eye worm)	animal heme peroxidase	0.0035	0.0155	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0041	0.0236	0.0399
Onchocerca volvulus	Peroxidasin homolog	0.0035	0.0155	0.0615
Loa Loa (eye worm)	carboxylesterase	0.0057	0.0432	0.0538
Schistosoma mansoni	thyroid hormone receptor	0.0041	0.0236	0.0444
Toxoplasma gondii	hypothetical protein	0.0031	0.0101	0.0474
Mycobacterium leprae	Conserved hypothetical protein	0.0068	0.0582	0.6178
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0041	0.0236	0.0293
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0031	0.0101	0.0095
Brugia malayi	Blistered cuticle protein 3	0.0035	0.0155	0.0193
Loa Loa (eye worm)	animal heme peroxidase	0.0035	0.0155	0.0193
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.0942	1
Schistosoma mansoni	hypothetical protein	0.0185	0.2099	0.5125
Loa Loa (eye worm)	steroid hormone receptor	0.0041	0.0236	0.0293
Schistosoma mansoni	single-minded	0.0066	0.056	0.1259
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0101	0.0105
Brugia malayi	Peroxidasin	0.0035	0.0155	0.0193
Schistosoma mansoni	cellular tumor antigen P53	0.0054	0.04	0.0857
Loa Loa (eye worm)	oxidoreductase	0.0096	0.0942	0.1172
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.0942	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0096	0.0942	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0942	0.1172
Echinococcus granulosus	sodium and chloride dependent glycine	0.0031	0.0101	0.0095
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0041	0.0236	0.0178
Loa Loa (eye worm)	oxidoreductase	0.0096	0.0942	0.1172
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0041	0.0236	0.0178
Echinococcus granulosus	serotonin transporter	0.0182	0.2067	0.4533
Schistosoma mansoni	hypothetical protein	0.004	0.0218	0.0401
Leishmania major	prostaglandin f synthase, putative	0.0096	0.0942	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0096	0.0942	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0028	0.0059	0.0073
Echinococcus multilocularis	peroxidasin	0.0035	0.0155	0.0097
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Toxoplasma gondii	hypothetical protein	0.0031	0.0101	0.0474
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0031	0.0101	0.0105
Loa Loa (eye worm)	carboxylesterase	0.0057	0.0432	0.0538
Onchocerca volvulus		0.0096	0.0942	0.374
Loa Loa (eye worm)	norepinephrine transporter	0.0182	0.2067	0.2571
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0041	0.0236	0.0293
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0041	0.0236	0.0399
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0057	0.0432	0.0938
Onchocerca volvulus		0.0028	0.0059	0.0234
Onchocerca volvulus		0.0096	0.0942	0.374
Onchocerca volvulus	Bile acid receptor homolog	0.0041	0.0236	0.0935
Echinococcus granulosus	acetylcholinesterase	0.0335	0.404	0.8986
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0101	0.0474
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0041	0.0236	0.0178
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0101	0.0105
Onchocerca volvulus		0.0031	0.0101	0.04
Brugia malayi	Carboxylesterase family protein	0.0057	0.0432	0.0538
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Treponema pallidum	sodium- and chloride- dependent transporter	0.0182	0.2067	0.5
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2067	0.2571
Entamoeba histolytica	hypothetical protein	0.004	0.0218	0.2318
Brugia malayi	bZIP transcription factor family protein	0.0277	0.3291	0.4092
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Schistosoma mansoni	sodium/chloride dependent transporter	0.0031	0.0101	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2067	0.2571
Brugia malayi	hypothetical protein	0.0057	0.0432	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0101	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0101	0.0125
Mycobacterium tuberculosis	Probable oxidoreductase	0.0096	0.0942	1
Onchocerca volvulus		0.0096	0.0942	0.374
Brugia malayi	ecdysteroid receptor	0.0041	0.0236	0.0293
Echinococcus granulosus	single minded 2	0.0049	0.0336	0.0626
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0096	0.0942	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0031	0.0101	0.0042
Loa Loa (eye worm)	blistered cuticle protein 3	0.0035	0.0155	0.0193
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0057	0.0432	0.4588
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0057	0.0432	0.0376
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0041	0.0236	0.0935
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0041	0.0236	0.0444
Echinococcus multilocularis	aldo keto reductase	0.0096	0.0942	0.0889
Leishmania major	aldo-keto reductase-like protein	0.0096	0.0942	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0041	0.0236	0.0293
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Brugia malayi	small heat shock protein	0.0643	0.8041	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0332	0.0413
Schistosoma mansoni	peroxidasin	0.0035	0.0155	0.0241
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0143	0.1559	0.1509
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0101	0.0125
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Brugia malayi	hypothetical protein	0.0217	0.2519	0.3133
Schistosoma mansoni	hypothetical protein	0.0033	0.0132	0.0183
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0041	0.0236	0.0293
Entamoeba histolytica	hypothetical protein	0.004	0.0218	0.2318
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Onchocerca volvulus	Chorion peroxidase homolog	0.0035	0.0155	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0293
Brugia malayi	Animal haem peroxidase family protein	0.0035	0.0155	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Onchocerca volvulus		0.0096	0.0942	0.374
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0031	0.0101	0.0042
Loa Loa (eye worm)	oxidoreductase	0.0096	0.0942	0.1172
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0132	0.0164
Echinococcus multilocularis	neuroligin	0.0057	0.0432	0.0376
Entamoeba histolytica	hypothetical protein	0.004	0.0218	0.2318
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0126	0.1328	0.1652
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0101	0.0105
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0236	0.0178
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0057	0.0432	0.0938
Schistosoma mansoni	sodium/chloride dependent transporter	0.0031	0.0101	0.0105
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0041	0.0236	0.0293
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0057	0.0432	0.0938
Schistosoma mansoni	aldo-keto reductase	0.0096	0.0942	0.2219
Onchocerca volvulus		0.0182	0.2067	0.8205
Mycobacterium ulcerans	carboxylesterase, LipT	0.0057	0.0432	0.4588
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0182	0.2067	0.5044
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0041	0.0236	0.0444
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0236	0.0293
Brugia malayi	Carboxylesterase family protein	0.0057	0.0432	0.0538
Echinococcus multilocularis	carboxylesterase 5A	0.0335	0.404	0.4005
Toxoplasma gondii	aldose reductase, putative	0.0096	0.0942	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Loa Loa (eye worm)	hypothetical protein	0.0643	0.8041	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0041	0.0236	0.0293
Loa Loa (eye worm)	carboxylesterase	0.0335	0.404	0.5024
Entamoeba histolytica	aldose reductase, putative	0.0096	0.0942	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0041	0.0236	0.0444
Onchocerca volvulus		0.0035	0.0155	0.0615
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Onchocerca volvulus		0.0054	0.04	0.1588
Onchocerca volvulus		0.0057	0.0432	0.1716
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Onchocerca volvulus		0.0035	0.0155	0.0615
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0041	0.0236	0.0293
Onchocerca volvulus		0.0143	0.1552	0.616
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0236	0.0178
Echinococcus granulosus	ecdysone induced protein 78C	0.0041	0.0236	0.0399
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0101	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0332	0.0413
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Mycobacterium ulcerans	oxidoreductase	0.0096	0.0942	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0041	0.0236	0.0293
Echinococcus multilocularis	serotonin transporter	0.0182	0.2067	0.202
Echinococcus granulosus	peroxidasin	0.0035	0.0155	0.0217
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0236	0.0293
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0101	0.0105
Echinococcus multilocularis	geminin	0.0185	0.2099	0.2052
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0432	0.0538
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Schistosoma mansoni	gliotactin	0.0057	0.0432	0.0938
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.0942	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0101	0.0125
Echinococcus granulosus	neuroligin	0.0057	0.0432	0.0843
Schistosoma mansoni	sodium/chloride dependent transporter	0.0182	0.2067	0.5044
Echinococcus multilocularis	para nitrobenzyl esterase	0.0057	0.0432	0.0376
Echinococcus multilocularis	acetylcholinesterase	0.0335	0.404	0.4005
Schistosoma mansoni	coup transcription factor	0.0041	0.0236	0.0444
Brugia malayi	Carboxylesterase family protein	0.0057	0.0432	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0101	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0432	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2067	0.2571
Loa Loa (eye worm)	oxidoreductase	0.0096	0.0942	0.1172
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Schistosoma mansoni	pol-related	0.0096	0.0942	0.2219
Loa Loa (eye worm)	oxidoreductase	0.0096	0.0942	0.1172
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.0236	0.0293
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0236	0.0293
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.0942	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0028	0.0059	0.0626
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0041	0.0236	0.0293
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0041	0.0236	0.0293
Brugia malayi	Carboxylesterase family protein	0.0057	0.0432	0.0538
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0057	0.0432	0.4588
Onchocerca volvulus		0.0035	0.0155	0.0615
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.0942	0.0889
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0182	0.2067	0.2571
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0432	0.0538
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Brugia malayi	Carboxylesterase family protein	0.0335	0.404	0.5024
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0132	0.0164
Schistosoma mansoni	jun-related protein	0.0225	0.2618	0.6428
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0031	0.0101	0.0042
Mycobacterium ulcerans	putative regulatory protein	0.0049	0.0336	0.3569
Onchocerca volvulus	Peroxidasin homolog	0.0035	0.0155	0.0615
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0057	0.0432	0.0938
Mycobacterium tuberculosis	Conserved protein	0.0028	0.0059	0.0626
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0041	0.0236	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0101	0.0125
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0332	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Onchocerca volvulus		0.0057	0.0432	0.1716
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0057	0.0432	0.0843
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.0942	0.1994
Loa Loa (eye worm)	hypothetical protein	0.0335	0.404	0.5024
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0031	0.0101	0.0125
Echinococcus multilocularis	aldo keto reductase	0.0096	0.0942	0.0889
Brugia malayi	Carboxylesterase family protein	0.0335	0.404	0.5024
Onchocerca volvulus		0.0057	0.0432	0.1716
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0293
Onchocerca volvulus	Peroxidase homolog	0.0035	0.0155	0.0615
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0041	0.0236	0.0293
Echinococcus granulosus	tumor protein p63	0.0369	0.4489	1
Echinococcus granulosus	hypothetical protein	0.0096	0.0942	0.1994
Onchocerca volvulus		0.005	0.0344	0.1364
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0155	0.0193
Trypanosoma brucei	aldo-keto reductase, putative	0.0096	0.0942	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0057	0.0432	0.4588
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0293
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0041	0.0236	0.0178
Echinococcus granulosus	jun protein	0.0277	0.3291	0.7295
Loa Loa (eye worm)	hypothetical protein	0.0054	0.04	0.0497
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0277	0.3291	0.7295
Trichomonas vaginalis	spcc417.12 protein, putative	0.0057	0.0432	0.4227
Brugia malayi	Animal haem peroxidase family protein	0.0035	0.0155	0.0193
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0236	0.0399

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.7 nM	Binding affinity at dopamine transporter from rat caudate-putamen tissue by [3H]-WIN- 35428 displacement.	ChEMBL.	12639545
Ki (binding)	= 3.7 nM	Binding affinity at dopamine transporter from rat caudate-putamen tissue by [3H]-WIN- 35428 displacement.	ChEMBL.	12639545
Ki (binding)	= 562 nM	Binding affinity at serotonin transporter from rat caudate-putamen tissue by [3H]-WIN- 35428 displacement.	ChEMBL.	12639545
Ki (binding)	= 562 nM	Binding affinity at serotonin transporter from rat caudate-putamen tissue by [3H]-WIN- 35428 displacement.	ChEMBL.	12639545
Ratio (binding)	= 152	Binding affinity towards serotonin transporter compared to dopamine transporter.	ChEMBL.	12639545

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: CHEMBL348907

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 271492