TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 278.39 | Formula: C16H26N2O2
H donors: 1 H acceptors: 1 LogP: 3.24 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(n1)C)O[C@@H]([C@@H]1CNCC1)CC(C)C
InChi: 1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15+/m0/s1
InChiKey: SNNRWIBSGBMYRF-DZGCQCFKSA-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 3	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 2	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)	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
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	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
Loa Loa (eye worm)	hypothetical 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
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 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
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0159	0.0248
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0062	0.0338	0.0526
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.003	0.0099	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0119	0.0185
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0099	0.0154
Echinococcus granulosus	twitchin	0.0039	0.0167	0.0387
Schistosoma mansoni	coup transcription factor	0.003	0.0099	0.0099
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0081	0.0482	0.6371
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0002	0.0143
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0062	0.0338	0.0526
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0017	0.0002	0.0091
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0159	0.0248
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0062	0.0338	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0119	0.0185
Plasmodium vivax	plasmepsin V, putative	0.0081	0.0482	0.636
Plasmodium falciparum	plasmepsin VII	0.0081	0.0482	0.636
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0482	0.075
Echinococcus granulosus	ecdysone induced protein 78C	0.003	0.0099	0.023
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.008	0.0124
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0081	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0037	0.015	0.0234
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0002	0.0143
Plasmodium falciparum	plasmepsin IX	0.0081	0.0482	0.636
Onchocerca volvulus		0.0038	0.0159	0.0237
Trypanosoma cruzi	trypanothione reductase, putative	0.0017	0.0002	0.0091
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0002	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0062	0.0338	0.0338
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.003	0.0099	0.023
Brugia malayi	GSG2	0.0072	0.0416	0.0648
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0002	0.0091
Plasmodium vivax	amine transporter, putative	0.0062	0.0338	0.4448
Toxoplasma gondii	hypothetical protein	0.0062	0.0338	0.4465
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0081	0.0482	0.075
Schistosoma mansoni	serine/threonine protein kinase	0.029	0.2057	0.2057
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0002	0.0143
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0081	0.0482	0.0482
Toxoplasma gondii	ABC1 family protein	0.0038	0.0159	0.2103
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0757	0.1177
Schistosoma mansoni	cathepsin D (A01 family)	0.0211	0.1457	0.1457
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0002	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0099	0.0154
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0099	0.0099
Loa Loa (eye worm)	aspartyl protease 6	0.0081	0.0482	0.075
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0017	0.0002	0.0013
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0062	0.0338	0.4465
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0081	0.0482	0.0482
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.003	0.0099	0.0099
Loa Loa (eye worm)	haspin protein kinase	0.0075	0.0433	0.0673
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0159	0.093
Echinococcus granulosus	maternal embryonic leucine zipper kinase	0.0583	0.4258	0.9881
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0365	0.262	0.4076
Onchocerca volvulus		0.0038	0.0159	0.0237
Loa Loa (eye worm)	cytochrome P450 family protein	0.004	0.0174	0.027
Plasmodium falciparum	plasmepsin II	0.0118	0.0757	1
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0159	0.1918
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0159	0.1918
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.003	0.0099	0.0154
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0062	0.0338	0.0338
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0072	0.0416	0.0977
Brugia malayi	Fibronectin type III domain containing protein	0.0033	0.0119	0.0185
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.029	0.2057	0.4772
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.003	0.0099	0.0154
Echinococcus multilocularis	roundabout 2	0.0037	0.015	0.0353
Toxoplasma gondii	aspartyl protease ASP1	0.0118	0.0757	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0081	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0338	0.0526
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0099	0.0154
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0002	0.0002
Onchocerca volvulus		0.0365	0.262	1
Onchocerca volvulus		0.0062	0.0338	0.0946
Loa Loa (eye worm)	hypothetical protein	0.003	0.0099	0.0154
Onchocerca volvulus		0.0038	0.0159	0.0237
Toxoplasma gondii	NADPH-glutathione reductase	0.0017	0.0002	0.003
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0081	0.0482	0.0482
Schistosoma mansoni	hypothetical protein	0.0288	0.204	0.204
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0028	0.008	0.5007
Plasmodium falciparum	amino acid transporter, putative	0.0062	0.0338	0.4448
Toxoplasma gondii	aspartyl protease	0.0081	0.0482	0.6371
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0062	0.0338	0.0338
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0159	0.093
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0002	0.0091
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0033	0.0119	0.0279
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0159	0.093
Loa Loa (eye worm)	steroid hormone receptor	0.003	0.0099	0.0154
Schistosoma mansoni	serine/threonine protein kinase	0.029	0.2057	0.2057
Leishmania major	trypanothione reductase	0.005	0.0249	1
Brugia malayi	Cytochrome P450 family protein	0.0028	0.008	0.0124
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0159	1
Brugia malayi	aspartic protease BmAsp-2, identical	0.0081	0.0482	0.075
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0159	0.6383
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0119	0.0185
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0099	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0482	0.075
Loa Loa (eye worm)	hypothetical protein	0.003	0.0099	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0288	0.204	0.3174
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0037	0.0152	0.0237
Trichomonas vaginalis	CAMK family protein kinase	0.0583	0.4258	0.6624
Loa Loa (eye worm)	CYP4Cod1	0.0028	0.008	0.0124
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.003	0.0099	0.023
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0062	0.0338	0.0338
Echinococcus granulosus	Immunoglobulin	0.0033	0.0119	0.0276
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0062	0.0338	0.0793
Plasmodium vivax	plasmepsin IV, putative	0.0118	0.0757	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0118	0.0757	0.1177
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0115	0.0734	0.884
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.0734	0.4289
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.083	0.4852
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0249	0.3275
Echinococcus multilocularis	FTZ F1 alpha	0.003	0.0099	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0365	0.262	0.4076
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0159	0.093
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0062	0.0338	0.4465
Plasmodium falciparum	plasmepsin VI	0.0118	0.0757	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.003	0.0099	0.0154
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0365	0.262	0.4076
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.083	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0159	0.0159
Echinococcus granulosus	sodium and chloride dependent glycine	0.0062	0.0338	0.0784
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0244	0.171	1
Mycobacterium tuberculosis	Probable reductase	0.0115	0.0734	0.4289
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.003	0.0099	0.023
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0062	0.0338	0.0526
Plasmodium vivax	aspartyl proteinase, putative	0.0081	0.0482	0.636
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0081	0.0482	0.0482
Echinococcus multilocularis	Immunoglobulin	0.0033	0.0119	0.0279
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.029	0.2057	0.483
Brugia malayi	nuclear receptor NHR-88	0.003	0.0099	0.0154
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0002	0.0091
Brugia malayi	steroid hormone receptor	0.003	0.0099	0.0154
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0033	0.0119	0.0119
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0249	0.0585
Loa Loa (eye worm)	hypothetical protein	0.003	0.0099	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0159	0.0248
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0002	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0159	0.0248
Echinococcus multilocularis	Immunoglobulin	0.0033	0.0119	0.0279
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0037	0.0152	0.0237
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0033	0.0119	0.0185
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.003	0.0099	0.0154
Echinococcus multilocularis	thyroid hormone receptor alpha	0.003	0.0099	0.0233
Brugia malayi	nuclear hormone receptor	0.003	0.0099	0.0154
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.003	0.0099	0.0099
Echinococcus granulosus	FTZ F1 alpha	0.003	0.0099	0.023
Brugia malayi	Steroid receptor seven-up type 2	0.003	0.0099	0.0154
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0159	0.093
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0062	0.0338	0.0793
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0249	0.0578
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0062	0.0338	0.0793
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0118	0.0757	0.1777
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.0871	0.6427	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.003	0.0099	0.0154
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	0.0583	0.4258	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0119	0.0185
Trichomonas vaginalis	CAMK family protein kinase	0.0871	0.6427	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.003	0.0099	0.0154
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0099	0.0233
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0159	0.0244
Schistosoma mansoni	cell adhesion molecule	0.0033	0.0119	0.0119
Echinococcus granulosus	defective proboscis extension response	0.0033	0.0119	0.0276
Trichomonas vaginalis	CAMK family protein kinase	0.0583	0.4258	0.6624
Onchocerca volvulus		0.0081	0.0482	0.1519
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0002	0.0091
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0099	0.0099
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0099	0.023
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0062	0.0338	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0365	0.262	0.4076
Trypanosoma brucei	trypanothione reductase	0.005	0.0249	1
Plasmodium vivax	aspartyl protease, putative	0.0081	0.0482	0.636
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0589	0.431	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.0826	0.1285
Schistosoma mansoni	hypothetical protein	0.0288	0.204	0.204
Schistosoma mansoni	nephrin	0.0037	0.015	0.015
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0002	0.0091
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.029	0.2057	0.4772
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0338	0.0526
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.0826	0.1285
Trypanosoma brucei	cytochrome P450, putative	0.0028	0.008	0.3196
Brugia malayi	Protein kinase domain containing protein	0.0871	0.6427	1
Echinococcus multilocularis	hypothetical protein	0.0288	0.204	0.4791
Schistosoma mansoni	serine/threonine protein kinase	0.029	0.2057	0.2057
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0159	1
Schistosoma mansoni	hypothetical protein	0.0072	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.003	0.0099	0.0154
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0002	0.0005
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0033	0.0119	0.0276
Plasmodium vivax	aspartyl proteinase, putative	0.0118	0.0757	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.003	0.0099	0.0099
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.003	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0159	0.0248
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0159	0.0248
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0249	0.0388
Loa Loa (eye worm)	haspin protein kinase	0.0072	0.0416	0.0648
Echinococcus granulosus	calcium activated potassium channel	0.029	0.2057	0.4772
Plasmodium falciparum	plasmepsin III	0.0081	0.0482	0.636
Schistosoma mansoni	steroid hormone receptor ad4bp	0.003	0.0099	0.0099
Onchocerca volvulus		0.0081	0.0482	0.1519
Treponema pallidum	sodium- and chloride- dependent transporter	0.0365	0.262	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.003	0.0099	0.0154
Echinococcus multilocularis	calcium activated potassium channel	0.029	0.2057	0.483
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0365	0.262	0.262
Plasmodium vivax	glutathione reductase, putative	0.005	0.0249	0.3275
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0159	0.093
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.003	0.0099	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0119	0.0185
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0099	0.0099
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0757	0.0757
Brugia malayi	ecdysteroid receptor	0.003	0.0099	0.0154
Leishmania major	cytochrome p450-like protein	0.0028	0.008	0.3196
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0072	0.0416	0.0966
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0002	0.0005
Echinococcus granulosus	sodium and chloride dependent glycine	0.0062	0.0338	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0365	0.262	0.4076
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.003	0.0099	0.023
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0249	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.0159	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0211	0.1457	0.1457
Brugia malayi	Thioredoxin reductase	0.005	0.0249	0.0388
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0159	0.0374
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0072	0.0416	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0119	0.0185
Onchocerca volvulus		0.0062	0.0338	0.0946
Loa Loa (eye worm)	norepinephrine transporter	0.0365	0.262	0.4076
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0062	0.0338	0.0784
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.003	0.0099	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0338	0.0526
Brugia malayi	Kinase associated domain 1 family protein	0.0288	0.204	0.3174
Loa Loa (eye worm)	haspin protein kinase	0.0072	0.0416	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0338	0.0526
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.003	0.0099	0.023
Brugia malayi	glutathione reductase	0.005	0.0249	0.0388
Plasmodium falciparum	plasmepsin X	0.0081	0.0482	0.636
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0002	0.0091
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0159	1
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0062	0.0338	0.0338
Brugia malayi	hypothetical protein	0.0062	0.0338	0.0526
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0002	0.0091
Plasmodium falciparum	plasmepsin V	0.0081	0.0482	0.636
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0002	0.0091
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.003	0.0099	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0037	0.015	0.0234
Brugia malayi	hypothetical protein	0.0081	0.0482	0.075
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.008	0.3196
Plasmodium vivax	hypothetical protein, conserved	0.0062	0.0338	0.4448
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0062	0.0338	0.4465
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0159	0.6383
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0081	0.0482	0.0482
Brugia malayi	beta-lactamase family protein	0.0038	0.0159	0.0248
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0159	0.093
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0159	0.0244
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.083	0.4852
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0118	0.0757	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.008	0.0124
Brugia malayi	hypothetical protein	0.0081	0.0482	0.075
Plasmodium falciparum	glutathione reductase	0.005	0.0249	0.3275
Brugia malayi	hypothetical protein	0.0033	0.0119	0.0185
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0072	0.0416	0.0966
Plasmodium falciparum	plasmepsin IV	0.0118	0.0757	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0159	0.0244
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0099	0.0099
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.0249	0.1458
Schistosoma mansoni	serine/threonine protein kinase	0.029	0.2057	0.2057
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0072	0.0416	0.0977
Loa Loa (eye worm)	hypothetical protein	0.003	0.0099	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0338	0.0526
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.003	0.0099	0.0154
Plasmodium falciparum	thioredoxin reductase	0.005	0.0249	0.3275
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.003	0.0099	0.0154
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0062	0.0338	0.0338
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0081	0.0482	0.075
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0119	0.0185
Brugia malayi	hypothetical protein	0.0072	0.0416	0.0648
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0159	0.0159
Leishmania major	hypothetical protein, conserved	0.0038	0.0159	0.6383
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0338	0.0526
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0081	0.0482	0.0482
Schistosoma mansoni	sodium/chloride dependent transporter	0.0064	0.0354	0.0354
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.003	0.0099	0.0154
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.083	0.4852
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0099	0.0154
Schistosoma mansoni	retinoic acid receptor RXR	0.003	0.0099	0.0099
Brugia malayi	Pepsin A precursor	0.0081	0.0482	0.075
Trichomonas vaginalis	esterase, putative	0.0038	0.0159	0.0244
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0062	0.0338	0.0526
Toxoplasma gondii	hypothetical protein	0.0062	0.0338	0.4465
Echinococcus multilocularis	neuroglian	0.0037	0.015	0.0353
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.0734	0.4289
Toxoplasma gondii	aspartyl protease ASP3	0.0081	0.0482	0.6371
Echinococcus granulosus	roundabout 2	0.0037	0.015	0.0349
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0159	0.093
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0159	0.0244
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0062	0.0338	0.0784
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0002	0.0091
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0062	0.0338	0.0338
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.003	0.0099	0.0154
Plasmodium falciparum	transporter, putative	0.0062	0.0338	0.4448
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0062	0.0338	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0099	0.0154
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.003	0.0099	0.0154
Brugia malayi	Cytochrome P450 family protein	0.004	0.0174	0.027
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0062	0.0338	0.0526
Loa Loa (eye worm)	hypothetical protein	0.003	0.0099	0.0154
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.0734	0.4289
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0159	0.6383
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0099	0.0154
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0159	0.0369
Brugia malayi	MH2 domain containing protein	0.0127	0.0826	0.1285
Schistosoma mansoni	serine/threonine protein kinase	0.029	0.2057	0.2057
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.0734	0.4289
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0002	0.5
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0062	0.0338	0.0793
Schistosoma mansoni	serine/threonine kinase	0.0883	0.6521	0.6521
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0033	0.0119	0.0119
Echinococcus multilocularis	serotonin transporter	0.0365	0.262	0.6152
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0099	0.0154
Brugia malayi	beta-lactamase	0.0038	0.0159	0.0248
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0099	0.0154
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.008	0.3196
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.003	0.0099	0.0233
Loa Loa (eye worm)	serotonin transporter b	0.0365	0.262	0.4076
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0118	0.0757	0.1756
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0062	0.0338	0.0784
Loa Loa (eye worm)	hypothetical protein	0.003	0.0099	0.0154
Echinococcus granulosus	neuroglian	0.0037	0.015	0.0349
Schistosoma mansoni	sodium/chloride dependent transporter	0.0365	0.262	0.262
Onchocerca volvulus		0.0062	0.0338	0.0946
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0159	0.0244
Echinococcus granulosus	serotonin transporter	0.0365	0.262	0.6079
Brugia malayi	Cytochrome P450 family protein	0.0028	0.008	0.0124
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0159	1
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.029	0.2057	0.483
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0159	0.2079
Plasmodium falciparum	plasmepsin I	0.0118	0.0757	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0062	0.0338	0.0338
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0062	0.0338	0.0526
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0002	0.0091
Plasmodium falciparum	plasmepsin VIII, putative	0.0081	0.0482	0.636
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.003	0.0099	0.0233
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0159	0.093
Brugia malayi	beta-lactamase family protein	0.0038	0.0159	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0159	0.0248
Schistosoma mansoni	RAR-like nuclear receptor	0.003	0.0099	0.0099
Loa Loa (eye worm)	glutathione reductase	0.005	0.0249	0.0388
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0159	0.093
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0099	0.023
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0017	0.0002	0.003
Schistosoma mansoni	sodium/chloride dependent transporter	0.0062	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0338	0.0526
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0062	0.0338	0.0338
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.003	0.0099	0.0099
Echinococcus multilocularis	ecdysone induced protein 78C	0.003	0.0099	0.0233
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0159	0.0248
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0002	0.0091
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.003	0.0099	0.0233
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0002	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0002	0.0091
Brugia malayi	aspartic protease BmAsp-1, identical	0.0081	0.0482	0.075
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.0734	0.4289
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0159	0.0248
Toxoplasma gondii	thioredoxin reductase	0.005	0.0249	0.3295
Plasmodium vivax	aspartyl protease, putative	0.0081	0.0482	0.636
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0002	0.0091
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0118	0.0757	0.1174
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0017	0.0002	0.0091
Schistosoma mansoni	vesicular amine transporter	0.0033	0.0119	0.0119
Plasmodium vivax	aspartyl protease, putative	0.0081	0.0482	0.636

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.23 nM	Displacement of [3H]citalopram from human SERT transfected in HEK293 cells after 3 hrs by Wallac counting analysis	ChEMBL.	24900709
Ki (binding)	= 30 nM	Displacement of [3H]Nisoxetine from human NET transfected in HEK293 cells after 3 hrs by Wallac counting analysis	ChEMBL.	24900709
Ki (binding)	> 890 nM	Displacement of [3H]WIN35428 from human DAT transfected in HEK293 cells after 3 hrs by Wallac counting analysis	ChEMBL.	24900709

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: CHEMBL2386164

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1782240