TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 291.384 | Formula: C16H18FNOS
H donors: 0 H acceptors: 0 LogP: 3.9 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CSc1ccc(cc1)Oc1ccc(cc1CN(C)C)F
InChi: 1S/C16H18FNOS/c1-18(2)11-12-10-13(17)4-9-16(12)19-14-5-7-15(20-3)8-6-14/h4-10H,11H2,1-3H3
InChiKey: FDNFLRXXOIWCQA-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	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)	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
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	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 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
Schistosoma mansoni	sodium/chloride dependent 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
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)	serotonin transporter b	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)	solute carrier family 6 member 4	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 noradrenaline 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
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0322	0.2902
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0139	0.0735
Trichomonas vaginalis	phosphofructokinase, putative	0.0118	0.0923	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0077	0.037
Schistosoma mansoni	hypothetical protein	0.005	0.0228	0.0577
Onchocerca volvulus		0.0059	0.0324	0.0686
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0225	0.0565
Schistosoma mansoni	hypothetical protein	0.0206	0.1816	0.6635
Brugia malayi	hypothetical protein	0.0056	0.0285	0.0276
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0225	0.0214
Brugia malayi	hypothetical protein	0.0187	0.1632	0.1624
Toxoplasma gondii	LsmAD domain-containing protein	0.0056	0.0285	0.8676
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0077	0.037
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0009	0.0009
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0225	0.0215
Plasmodium falciparum	transporter, putative	0.005	0.0225	0.7484
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0225	0.0565
Trypanosoma cruzi	PAB1-binding protein , putative	0.0056	0.0285	0.2467
Leishmania major	trypanothione reductase	0.0053	0.0257	0.2126
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.005	0.0228	0.0228
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0225	0.0225
Entamoeba histolytica	phosphofructokinase, putative	0.0118	0.0923	0.5534
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0139	0.0735
Trichomonas vaginalis	phosphofructokinase, putative	0.0118	0.0923	1
Schistosoma mansoni	6-phosphofructokinase	0.0118	0.0923	0.3227
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0313	0.0313
Plasmodium falciparum	glutathione reductase	0.0053	0.0257	0.8802
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0077	0.0066
Entamoeba histolytica	hypothetical protein	0.0187	0.1632	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0225	0.0565
Entamoeba histolytica	hypothetical protein	0.0187	0.1632	1
Onchocerca volvulus		0.005	0.0225	0.041
Plasmodium vivax	glutathione reductase, putative	0.0053	0.0257	0.8802
Plasmodium vivax	amine transporter, putative	0.005	0.0225	0.7484
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.2698	0.2698
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0041	0.0139	0.0735
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0077	0.0066
Trichomonas vaginalis	esterase, putative	0.0035	0.0077	0.037
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0228	0.0217
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0322	0.0937
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.012	0.0945	0.8639
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.0285	1
Trypanosoma brucei	trypanothione reductase	0.0053	0.0257	0.2126
Loa Loa (eye worm)	hypothetical protein	0.005	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0077	0.0077
Leishmania major	hypothetical protein, conserved	0.0056	0.0285	0.2467
Echinococcus multilocularis	neuropeptide s receptor	0.0515	0.4975	0.497
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0032	0.0043	0.0043
Plasmodium vivax	ataxin-2 like protein, putative	0.0056	0.0285	1
Toxoplasma gondii	thioredoxin reductase	0.0053	0.0257	0.7637
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0173	0.0164
Brugia malayi	beta-lactamase family protein	0.0035	0.0077	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0292	0.2698	0.2698
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0077	0.0077
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0077	0.0067
Schistosoma mansoni	transcription factor LCR-F1	0.0187	0.1632	0.5932
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.2698	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0225	0.0214
Brugia malayi	hypothetical protein	0.0036	0.0085	0.0075
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.2698	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0225	0.0214
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0225	0.0215
Entamoeba histolytica	phosphofructokinase, putative	0.0118	0.0923	0.5534
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0077	0.037
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0225	0.0225
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0322	0.1274
Loa Loa (eye worm)	transcription factor SMAD2	0.0369	0.3485	0.3485
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0206	0.1816	0.1808
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0228	0.0217
Echinococcus multilocularis	serotonin transporter	0.0292	0.2698	0.269
Schistosoma mansoni	hypothetical protein	0.005	0.0228	0.0577
Loa Loa (eye worm)	hypothetical protein	0.005	0.0225	0.0225
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0225	0.6493
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0322	0.2902
Loa Loa (eye worm)	6-phosphofructokinase	0.0118	0.0923	0.0923
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0037	0.0095	0.0094
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0032	0.0044	0.5
Loa Loa (eye worm)	hypothetical protein	0.0389	0.3685	0.3685
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0173	0.0369
Mycobacterium tuberculosis	Probable dehydrogenase	0.012	0.0945	0.4506
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.012	0.0945	0.4506
Brugia malayi	Inositol-1	0.0041	0.0139	0.013
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0285	0.0285
Loa Loa (eye worm)	intermediate filament protein	0.0059	0.0324	0.0324
Brugia malayi	Intermediate filament tail domain containing protein	0.0059	0.0324	0.0315
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0225	0.0565
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0225	0.0565
Onchocerca volvulus		0.005	0.0225	0.041
Brugia malayi	hypothetical protein	0.005	0.0225	0.0215
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0225	0.0565
Schistosoma mansoni	hypothetical protein	0.0187	0.1632	0.5932
Loa Loa (eye worm)	MH2 domain-containing protein	0.0369	0.3485	0.3485
Loa Loa (eye worm)	hypothetical protein	0.005	0.0225	0.0225
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0187	0.1632	0.1622
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0173	0.0163
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0158	0.1328	0.1319
Brugia malayi	glutathione reductase	0.0053	0.0257	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0389	0.3685	0.3685
Entamoeba histolytica	hypothetical protein	0.0187	0.1632	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.2698	0.2691
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0077	0.0077
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0173	0.0369
Trypanosoma cruzi	PAB1-binding protein , putative	0.0056	0.0285	0.2467
Loa Loa (eye worm)	inositol-1	0.0041	0.0139	0.0139
Brugia malayi	latrophilin 2 splice variant baaae	0.0108	0.0819	0.081
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.0139	0.1077
Echinococcus granulosus	6 phosphofructokinase	0.0118	0.0923	0.0913
Trypanosoma cruzi	trypanothione reductase, putative	0.0053	0.0257	0.2126
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0059	0.0324	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0819	0.0819
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0118	0.0923	0.439
Onchocerca volvulus		0.0206	0.1816	0.482
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0053	0.0257	0.0246
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0053	0.0257	0.0933
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0228	0.0228
Plasmodium vivax	thioredoxin reductase, putative	0.0053	0.0257	0.8802
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0225	0.0214
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0158	0.1328	0.1319
Echinococcus granulosus	GPCR family 2	0.005	0.0228	0.0217
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0225	0.7484
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0225	0.0214
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0228	0.0217
Onchocerca volvulus		0.0292	0.2698	0.7264
Echinococcus multilocularis	6 phosphofructokinase	0.0118	0.0923	0.0913
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0322	0.0937
Echinococcus granulosus	intermediate filament protein	0.0059	0.0324	0.0313
Brugia malayi	beta-lactamase family protein	0.0035	0.0077	0.0067
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0225	0.0565
Toxoplasma gondii	hypothetical protein	0.005	0.0225	0.6493
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0225	0.0214
Loa Loa (eye worm)	phosphofructokinase	0.0118	0.0923	0.0923
Plasmodium falciparum	thioredoxin reductase	0.0053	0.0257	0.8802
Echinococcus granulosus	neuropeptide receptor A26	0.0515	0.4975	0.497
Toxoplasma gondii	hypothetical protein	0.005	0.0225	0.6493
Trichomonas vaginalis	phosphofructokinase, putative	0.0118	0.0923	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0322	0.0311
Mycobacterium ulcerans	6-phosphofructokinase	0.0118	0.0923	1
Brugia malayi	intermediate filament protein	0.0059	0.0324	0.0315
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0037	0.0095	0.0181
Brugia malayi	6-phosphofructokinase	0.0118	0.0923	0.0914
Mycobacterium tuberculosis	Probable oxidoreductase	0.0134	0.1082	0.5216
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0077	0.0077
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0322	1
Entamoeba histolytica	phosphofructokinase, putative	0.0118	0.0923	0.5534
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1328	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0077	0.0077
Echinococcus granulosus	neuropeptide s receptor	0.0515	0.4975	0.497
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0134	0.1082	0.5216
Brugia malayi	MH2 domain containing protein	0.0369	0.3485	0.3479
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0139	0.0735
Echinococcus multilocularis	lamin	0.0059	0.0324	0.0313
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0077	0.037
Brugia malayi	hypothetical protein	0.0389	0.3685	0.3679
Echinococcus granulosus	lamin dm0	0.0059	0.0324	0.0313
Schistosoma mansoni	survival motor neuron protein	0.0206	0.1816	0.6635
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0225	0.0215
Echinococcus multilocularis	GPCR, family 2	0.005	0.0228	0.0217
Loa Loa (eye worm)	glutathione reductase	0.0053	0.0257	0.0257
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0173	0.0163
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.012	0.0945	0.4506
Schistosoma mansoni	hypothetical protein	0.005	0.0228	0.0577
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0225	0.0565
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0228	0.0219
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0225	0.6493
Loa Loa (eye worm)	thioredoxin reductase	0.0053	0.0257	0.0257
Schistosoma mansoni	lamin	0.0059	0.0324	0.0944
Echinococcus multilocularis	inositol monophosphatase 1	0.0041	0.0139	0.0128
Loa Loa (eye worm)	hypothetical protein	0.005	0.0225	0.0225
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0225	0.0215
Trichomonas vaginalis	inositol monophosphatase, putative	0.0041	0.0139	0.1077
Schistosoma mansoni	lamin	0.0059	0.0324	0.0944
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0118	0.0923	0.8416
Trypanosoma brucei	PAB1-binding protein , putative	0.0056	0.0285	0.2467
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0225	0.0565
Brugia malayi	cytoplasmic intermediate filament protein	0.0032	0.0043	0.0034
Leishmania major	ATP-dependent phosphofructokinase	0.0118	0.0923	1
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0225	0.7484
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0322	0.2902
Loa Loa (eye worm)	hypothetical protein	0.005	0.0225	0.0225
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0077	0.1346
Brugia malayi	Thioredoxin reductase	0.0053	0.0257	0.0247
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0158	0.1328	0.1328
Brugia malayi	6-phosphofructokinase	0.0118	0.0923	0.0914
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0322	0.0311
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0041	0.0139	0.5
Entamoeba histolytica	hypothetical protein	0.0187	0.1632	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0225	0.0214
Onchocerca volvulus		0.0059	0.0324	0.0686
Echinococcus multilocularis	lamin dm0	0.0059	0.0324	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0011	0.0011
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.012	0.0945	0.4506
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0173	0.0173
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0225	0.0214
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0118	0.0923	0.331
Schistosoma mansoni	6-phosphofructokinase	0.0118	0.0923	0.3227
Onchocerca volvulus	Huntingtin homolog	0.0389	0.3685	1
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.2698	0.2698
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0118	0.0923	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0041	0.0139	0.0596
Echinococcus multilocularis	neuropeptide receptor A26	0.0515	0.4975	0.497
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0041	0.0139	0.3405
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0228	0.0217
Mycobacterium tuberculosis	Probable reductase	0.012	0.0945	0.4506
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0173	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0324	0.0324
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0225	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0225	0.0225
Brugia malayi	phosphofructokinase	0.0118	0.0923	0.0914
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0134	0.1082	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0225	0.0225
Toxoplasma gondii	ABC1 family protein	0.0035	0.0077	0.1168
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0173	0.0369
Schistosoma mansoni	hypothetical protein	0.005	0.0228	0.0577
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.2698	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0225	0.0565
Echinococcus multilocularis	musashi	0.0059	0.0324	0.0313
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0228	0.0219
Brugia malayi	beta-lactamase	0.0035	0.0077	0.0067
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0225	0.0214
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.2698	0.2698
Schistosoma mansoni	inositol monophosphatase	0.0041	0.0139	0.0237
Echinococcus granulosus	lamin	0.0059	0.0324	0.0313
Schistosoma mansoni	hypothetical protein	0.0108	0.0819	0.283
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0225	0.6493
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0077	0.0077
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.2004	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.2698	0.2698
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.012	0.0945	0.4506
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0077	0.0077
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.0139	0.1077
Onchocerca volvulus		0.005	0.0225	0.041
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0134	0.1082	0.5216
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.0285	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0139	0.0735
Echinococcus granulosus	inositol monophosphatase 1	0.0041	0.0139	0.0128
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0322	0.2902
Echinococcus granulosus	thioredoxin glutathione reductase	0.0053	0.0257	0.0246
Echinococcus granulosus	serotonin transporter	0.0292	0.2698	0.269
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0077	0.037
Schistosoma mansoni	intermediate filament proteins	0.0059	0.0324	0.0944
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0225	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0292	0.2698	0.2698
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0173	0.0163
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0225	0.0214
Loa Loa (eye worm)	6-phosphofructokinase	0.0118	0.0923	0.0923
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0187	0.1632	0.1622
Schistosoma mansoni	inositol monophosphatase	0.0041	0.0139	0.0237
Trichomonas vaginalis	phosphofructokinase, putative	0.0118	0.0923	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0225	0.0565
Onchocerca volvulus	Huntingtin homolog	0.0389	0.3685	1
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0118	0.0923	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)		Drug metabolism in human assessed as demethylation	ChEMBL.	18782666
IC50 (binding)	= 10 nM	Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells	ChEMBL.	18571404
IC50 (binding)	= 10 nM	Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells	ChEMBL.	18782666
IC50 (binding)	= 630 nM	Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells	ChEMBL.	18571404
IC50 (binding)	= 7100 nM	Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells	ChEMBL.	18571404

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: CHEMBL446481

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1185583