TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 417.712 | Formula: C17H21ClINO
H donors: 0 H acceptors: 1 LogP: 4.2 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)C1C2CCC(N2C)CC1c1ccc(c(c1)Cl)I
InChi: 1S/C17H21ClINO/c1-3-16(21)17-12(9-11-5-7-15(17)20(11)2)10-4-6-14(19)13(18)8-10/h4,6,8,11-12,15,17H,3,5,7,9H2,1-2H3
InChiKey: RDOXVARXZHCHTF-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 noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
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
Loa Loa (eye worm)	hypothetical protein	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
Onchocerca volvulus		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
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	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
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Treponema pallidum	sodium- and chloride- dependent transporter	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
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
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Serotonin transporter	630 aa	629 aa	47.1 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Serotonin transporter	630 aa	638 aa	25.1 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Serotonin transporter	630 aa	585 aa	34.2 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	509 aa	28.3 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Serotonin transporter	630 aa	571 aa	31.2 %
Onchocerca volvulus		Serotonin transporter	630 aa	611 aa	26.4 %
Neospora caninum	sodium-dependent transporter, putative	Dopamine transporter	619 aa	498 aa	32.3 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	552 aa	41.5 %
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 %
Echinococcus granulosus	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	30.9 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Serotonin transporter	630 aa	581 aa	40.1 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	31.8 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Serotonin transporter	630 aa	520 aa	36.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	605 aa	37.7 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0016	0.0375
Brugia malayi	nuclear receptor NHR-88	0.0015	0.0001	0.0014
Giardia lamblia	Sentrin	0.0017	0.0002	0.0029
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0028	0.0005	0.0116
Trypanosoma brucei	unspecified product	0.003	0.0006	0.0125
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0006	0.0135
Mycobacterium tuberculosis	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	3.2043	1	1
Leishmania major	small ubiquitin protein, putative	0.0017	0.0002	0.0029
Trypanosoma cruzi	DNA polymerase eta, putative	0.003	0.0006	0.0125
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0445	0.0135	0.3249
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0015	0.0001	0.0022
Echinococcus granulosus	serotonin transporter	0.0182	0.0053	0.1279
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0015	0.0356
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0015	0.0001	0.0014
Toxoplasma gondii	glycosyl transferase, group 4 family protein	0.1345	0.0416	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0015	0.0015
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0166	0.0048	0.1147
Leishmania major	hypothetical protein, conserved	0.0032	0.0006	0.014
Schistosoma mansoni	microtubule-associated protein tau	0.1061	0.0327	0.7864
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0008	0.0183
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.003	0.0006	0.0125
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0016	0.0383
Trypanosoma cruzi	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0182	0.0053	0.1279
Treponema pallidum	sodium- and chloride- dependent transporter	0.0182	0.0053	0.0139
Schistosoma mansoni	lamin	0.0025	0.0004	0.0088
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0103	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0006	0.0143
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0095	0.0026	0.0615
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.1345	0.0416	1
Onchocerca volvulus		0.0031	0.0006	0.0122
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.003	0.0006	0.0133
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0031	0.0006	0.0135
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0008	0.0195
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0016	0.0375
Loa Loa (eye worm)	hypothetical protein	0.003	0.0006	0.0136
Echinococcus multilocularis	lamin dm0	0.0025	0.0004	0.0096
Schistosoma mansoni	terminal deoxycytidyl transferase	0.003	0.0006	0.0125
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0006	0.0135
Trypanosoma brucei	small ubiquitin-related modifier	0.0017	0.0002	0.0029
Plasmodium falciparum	glutathione reductase	0.0037	0.0008	0.0183
Schistosoma mansoni	DNA polymerase eta	0.003	0.0006	0.0125
Echinococcus multilocularis	FTZ F1 alpha	0.0015	0.0001	0.0022
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0001	0.0014
Plasmodium vivax	N-acetylglucosamine-1-phosphate transferase, putative	0.1345	0.0416	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0015	0.0001	0.0014
Loa Loa (eye worm)	intermediate filament protein	0.0025	0.0004	0.0096
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0008	0.0183
Echinococcus multilocularis	survival motor neuron protein 1	0.0217	0.0064	0.1535
Giardia lamblia	UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase	0.1345	0.0416	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Brugia malayi	TAR-binding protein	0.0063	0.0016	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0006	0.0143
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0006	0.014
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0103	0.0028	0.0673
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0001	0.0022
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0008	0.0195
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0015	0.0015
Echinococcus granulosus	sodium and chloride dependent glycine	0.0031	0.0006	0.0143
Treponema pallidum	phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY)	1.218	0.3799	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0182	0.0053	0.1273
Toxoplasma gondii	hypothetical protein	0.0027	0.0005	0.0103
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0103	0.0028	0.0673
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0006	0.0135
Brugia malayi	Intermediate filament tail domain containing protein	0.0025	0.0004	0.0088
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0322	0.0097	0.2322
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0015	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0001	0.0022
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0008	0.0183
Plasmodium falciparum	transporter, putative	0.0031	0.0006	0.0135
Echinococcus granulosus	sodium and chloride dependent glycine	0.0031	0.0006	0.0143
Leishmania major	trypanothione reductase	0.0037	0.0008	0.0183
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.003	0.0006	0.0125
Echinococcus granulosus	dihydrofolate reductase	0.1018	0.0314	0.7546
Schistosoma mansoni	ubiquitin-like protein sumo/smt3-related	0.0017	0.0002	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0053	0.1279
Echinococcus multilocularis	lamin	0.0025	0.0004	0.0096
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0001	0.0022
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0016	0.0375
Loa Loa (eye worm)	norepinephrine transporter	0.0182	0.0053	0.1279
Schistosoma mansoni	hypothetical protein	0.003	0.0006	0.0128
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1345	0.0416	1
Onchocerca volvulus		0.0025	0.0004	0.0074
Mycobacterium ulcerans	phospho-N-acetylmuramoyl-pentapeptide-transferase	3.2043	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0015	0.0001	0.0014
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0015	0.0001	0.0014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0015	0.0001	0.0022
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0015	0.0001	0.0014
Trypanosoma cruzi	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0016	0.0375
Trichomonas vaginalis	set domain proteins, putative	0.013	0.0037	0.0879
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0015	0.0001	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0026	0.0622
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0015	0.0001	0.0014
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0032	0.0006	0.014
Trypanosoma cruzi	small ubiquitin protein, putative	0.0017	0.0002	0.0029
Mycobacterium tuberculosis	Conserved hypothetical protein	0.003	0.0006	0.0005
Trypanosoma brucei	DNA polymerase IV, putative	0.003	0.0006	0.0125
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0031	0.0006	0.0143
Echinococcus multilocularis	musashi	0.0025	0.0004	0.0096
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0023	0.0004	0.0078
Mycobacterium ulcerans	DNA polymerase IV	0.003	0.0006	0.0005
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0015	0.0001	0.0022
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0103	0.0028	0.0673
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0016	0.0383
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0016	0.0383
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.003	0.0006	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0001	0.0022
Loa Loa (eye worm)	dihydrofolate reductase	0.1018	0.0314	0.7546
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.0026	0.0026
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0015	0.0001	0.0022
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0078	0.0021	0.0492
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.0001	0.0014
Schistosoma mansoni	hypothetical protein	0.0044	0.001	0.0234
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0016	0.0001	0.0026
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0103	0.0028	0.0673
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0016	0.0001	0.0026
Onchocerca volvulus		0.0182	0.0053	0.126
Echinococcus granulosus	Small ubiquitin modifier 2	0.0017	0.0002	0.0037
Echinococcus granulosus	survival motor neuron protein 1	0.0217	0.0064	0.1535
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0006	0.0143
Onchocerca volvulus		0.0031	0.0006	0.0122
Schistosoma mansoni	hypothetical protein	0.003	0.0006	0.0128
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0389	0.0118	0.2825
Echinococcus granulosus	microtubule associated protein 2	0.1061	0.0327	0.7866
Echinococcus multilocularis	Small ubiquitin modifier 2	0.0017	0.0002	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0006	0.0143
Echinococcus granulosus	lamin	0.0025	0.0004	0.0096
Schistosoma mansoni	hypothetical protein	0.0155	0.0045	0.1068
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0016	0.0001	0.0033
Brugia malayi	hypothetical protein	0.0031	0.0006	0.0135
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0095	0.0026	0.0615
Loa Loa (eye worm)	transcription factor SMAD2	0.0066	0.0017	0.0402
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0031	0.0006	0.0143
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0031	0.0006	0.0143
Brugia malayi	Pre-SET motif family protein	0.0114	0.0032	0.076
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0015	0.0001	0.0022
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.003	0.0006	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0001	0.0022
Echinococcus multilocularis	UDP N acetylglucosamine dolichyl phosphate	0.1345	0.0416	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0015	0.0001	0.0022
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0015	0.0001	0.0022
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.0006	0.0135
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0095	0.0026	0.0026
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0015	0.0001	0.0022
Toxoplasma gondii	hypothetical protein	0.0031	0.0006	0.0135
Schistosoma mansoni	dihydrofolate reductase	0.1018	0.0314	0.7545
Brugia malayi	dihydrofolate reductase family protein	0.1018	0.0314	0.7545
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0015	0.0001	0.0022
Leishmania major	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Brugia malayi	Dihydrofolate reductase	0.1018	0.0314	0.7545
Echinococcus multilocularis	GPCR, family 2	0.003	0.0006	0.0136
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0031	0.0006	0.0135
Onchocerca volvulus		0.0031	0.0006	0.0122
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.1018	0.0314	0.0292
Trypanosoma brucei	trypanothione reductase	0.0037	0.0008	0.0183
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0008	0.0183
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0015	0.0001	0.0014
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0031	0.0006	0.0135
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0003	0.0056
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0015	0.0001	0.0014
Plasmodium falciparum	amino acid transporter, putative	0.0031	0.0006	0.0135
Echinococcus multilocularis	microtubule associated protein 2	0.1061	0.0327	0.7866
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0016	0.0001	0.0033
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0006	0.0135
Echinococcus granulosus	GPCR family 2	0.003	0.0006	0.0136
Brugia malayi	MH2 domain containing protein	0.0066	0.0017	0.0395
Echinococcus granulosus	dna polymerase kappa	0.003	0.0006	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0017	0.0397
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0006	0.0135
Echinococcus multilocularis	dna polymerase eta	0.003	0.0006	0.0133
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0013	0	0.0008
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.003	0.0006	0.0136
Trypanosoma brucei	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1345	0.0416	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0015	0.0001	0.0014
Echinococcus multilocularis	geminin	0.0155	0.0045	0.1075
Loa Loa (eye worm)	latrophilin receptor protein 2	0.003	0.0006	0.0136
Trypanosoma brucei	DNA polymerase eta, putative	0.003	0.0006	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0004	0.0096
Giardia lamblia	DINP protein human, muc B family	0.003	0.0006	0.0125
Brugia malayi	RNA binding protein	0.0063	0.0016	0.0375
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0031	0.0006	0.0143
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.003	0.0006	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0015	0.0001	0.0014
Echinococcus granulosus	histone lysine methyltransferase setb	0.0016	0.0001	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0015	0.0001	0.0014
Echinococcus granulosus	geminin	0.0155	0.0045	0.1075
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.003	0.0006	0.0133
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0182	0.0053	0.1273
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0053	0.1279
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0103	0.0028	0.0681
Chlamydia trachomatis	phospho-N-acetylmuramoyl-pentapeptide-transferase	1.218	0.3799	1
Brugia malayi	nuclear hormone receptor	0.0015	0.0001	0.0014
Brugia malayi	Latrophilin receptor protein 2	0.003	0.0006	0.0128
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0103	0.0028	0.0673
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0031	0.0006	0.0143
Echinococcus multilocularis	serotonin transporter	0.0182	0.0053	0.1279
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0016	0.0001	0.0026
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0103	0.0028	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0004	0.0092
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0031	0.0006	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0001	0.0022
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0087	0.0024	0.0023
Loa Loa (eye worm)	steroid hormone receptor	0.0015	0.0001	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0002	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0006	0.0143
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0015	0.0015
Echinococcus granulosus	dna polymerase eta	0.003	0.0006	0.0133
Loa Loa (eye worm)	MH2 domain-containing protein	0.0066	0.0017	0.0402
Schistosoma mansoni	hypothetical protein	0.003	0.0006	0.0128
Toxoplasma gondii	hypothetical protein	0.0031	0.0006	0.0135
Echinococcus multilocularis	dna polymerase kappa	0.003	0.0006	0.0133
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0103	0.0028	0.0646
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0389	0.0118	0.2825
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0078	0.0021	0.0492
Schistosoma mansoni	retinoic acid receptor RXR	0.0015	0.0001	0.0014
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.1018	0.0314	0.0314
Loa Loa (eye worm)	SMO-1 protein	0.0017	0.0002	0.0037
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0006	0.0135
Plasmodium falciparum	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1345	0.0416	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0015	0.0363
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0031	0.0006	0.0015
Brugia malayi	ImpB/MucB/SamB family protein	0.003	0.0006	0.0125
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0389	0.0118	0.2825
Brugia malayi	hypothetical protein	0.0217	0.0064	0.1528
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.0006	0.0135
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0023	0.0023
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0016	0.0375
Trypanosoma cruzi	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0095	0.0026	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0015	0.0001	0.0014
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0389	0.0118	0.2825
Mycobacterium ulcerans	hypothetical protein	0.0087	0.0024	0.0023
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0032	0.0006	0.014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0015	0.0001	0.0022
Schistosoma mansoni	coup transcription factor	0.0015	0.0001	0.0014
Trypanosoma brucei	unspecified product	0.002	0.0003	0.0056
Schistosoma mansoni	hypothetical protein	0.0065	0.0017	0.039
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0015	0.0001	0.0014
Schistosoma mansoni	survival motor neuron protein	0.0044	0.001	0.0234
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1345	0.0416	1
Loa Loa (eye worm)	serotonin transporter b	0.0182	0.0053	0.1279
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0044	0.001	0.0234
Entamoeba histolytica	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1345	0.0416	1
Mycobacterium ulcerans	DNA polymerase IV	0.003	0.0006	0.0005
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0006	0.0135
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0015	0.0001	0.0022
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0008	0.0191
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0008	0.0191
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0032	0.0006	0.014
Brugia malayi	latrophilin 2 splice variant baaae	0.0065	0.0017	0.039
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0031	0.0006	0.0143
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0016	0.0001	0.0026
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0114	0.0032	0.0767
Brugia malayi	Ubiquitin-like protein SMT3	0.0017	0.0002	0.0029
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.1018	0.0314	0.0314
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0389	0.0118	0.2825
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0023	0.0023
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0015	0.0001	0.0022
Echinococcus granulosus	ecdysone induced protein 78C	0.0015	0.0001	0.0022
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.1345	0.0416	1
Brugia malayi	glutathione reductase	0.0037	0.0008	0.0183
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0095	0.0026	0.0622
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0015	0.0001	0.0014
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0006	0.0135
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0003	0.0056
Brugia malayi	ecdysteroid receptor	0.0015	0.0001	0.0014
Schistosoma mansoni	hypothetical protein	0.0155	0.0045	0.1068
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0389	0.0118	0.2825
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0025	0.0004	0.0096
Trypanosoma brucei	DNA polymerase IV, putative	0.003	0.0006	0.0125
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0015	0.0001	0.0014
Trypanosoma brucei	DNA polymerase IV, putative	0.003	0.0006	0.0125
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0078	0.0021	0.0492
Onchocerca volvulus		0.013	0.0037	0.0866
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0023	0.0023
Trichomonas vaginalis	DNA polymerase eta, putative	0.003	0.0006	0.0125
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0023	0.0004	0.0078
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0016	0.0375
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0015	0.0001	0.0022
Brugia malayi	Nuclear hormone receptor-like 1	0.0015	0.0001	0.0014
Echinococcus granulosus	lamin dm0	0.0025	0.0004	0.0096
Onchocerca volvulus		0.0103	0.0028	0.066
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0023	0.0004	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0001	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0001	0.0022
Plasmodium falciparum	small ubiquitin-related modifier	0.0017	0.0002	0.0029
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0015	0.0356
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0013	0	0.001
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0053	0.1279
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0006	0.0143
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0166	0.0048	0.1147
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0008	0.0008
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.003	0.0006	0.0136
Brugia malayi	cytoplasmic intermediate filament protein	0.0013	0	0.0002
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0015	0.0356
Wolbachia endosymbiont of Brugia malayi	phospho-N-acetylmuramoyl-pentapeptide-transferase	3.2043	1	1
Schistosoma mansoni	intermediate filament proteins	0.0025	0.0004	0.0088
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0008	0.0183
Onchocerca volvulus		0.0025	0.0004	0.0074
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0015	0.0001	0.0022
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0023	0.0023
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0003	0.0056
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0166	0.0048	0.1147
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Onchocerca volvulus		0.1345	0.0416	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0015	0.0015
Toxoplasma gondii	small ubiquitin family modifier, putative	0.0017	0.0002	0.0029
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0001	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0001	0.0022
Plasmodium vivax	small ubiquitin-related modifier, putative	0.0017	0.0002	0.0029
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.003	0.0006	0.0136
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0001	0.0022
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.0006	0.0135
Brugia malayi	steroid hormone receptor	0.0015	0.0001	0.0014
Trypanosoma brucei	unspecified product	0.002	0.0003	0.0056
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0013	0	0.0008
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.003	0.0006	0.0133
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0006	0.0135
Trypanosoma cruzi	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Brugia malayi	Steroid receptor seven-up type 2	0.0015	0.0001	0.0014
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0071	0.0018	0.0018
Brugia malayi	Thioredoxin reductase	0.0037	0.0008	0.0183
Schistosoma mansoni	lamin	0.0025	0.0004	0.0088
Leishmania major	DNA polymerase eta, putative	0.003	0.0006	0.0125
Plasmodium vivax	SET domain protein, putative	0.0016	0.0001	0.0026
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0015	0.0001	0.0014
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0031	0.0006	0.0143
Leishmania major	mitochondrial DNA polymerase beta	0.0166	0.0048	0.1147
Trypanosoma cruzi	small ubiquitin protein, putative	0.0017	0.0002	0.0029
Plasmodium vivax	amine transporter, putative	0.0031	0.0006	0.0135
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0103	0.0028	0.0673
Schistosoma mansoni	sodium/chloride dependent transporter	0.0031	0.0006	0.0135
Echinococcus granulosus	UDP N acetylglucosamine dolichyl phosphate	0.1345	0.0416	1
Brugia malayi	intermediate filament protein	0.0025	0.0004	0.0088
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0031	0.0006	0.0143
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0023	0.0023
Echinococcus granulosus	intermediate filament protein	0.0025	0.0004	0.0096
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0015	0.0001	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0001	0.0022
Entamoeba histolytica	deoxycytidyl transferase, putative	0.003	0.0006	0.0097
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0015	0.0001	0.0014
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0015	0.0001	0.0022
Brugia malayi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.1345	0.0416	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0016	0.0001	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0001	0.0033
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0015	0.0001	0.0022
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0006	0.0143
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0006	0.014
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0016	0.0383
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0016	0.0383
Echinococcus granulosus	FTZ F1 alpha	0.0015	0.0001	0.0022
Mycobacterium ulcerans	undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe	0.1345	0.0416	0.0416
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0023	0.0004	0.0078
Echinococcus multilocularis	dihydrofolate reductase	0.1018	0.0314	0.7546
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.0006	0.0135
Echinococcus multilocularis	ecdysone induced protein 78C	0.0015	0.0001	0.0022
Brugia malayi	ImpB/MucB/SamB family protein	0.003	0.0006	0.0125
Trichomonas vaginalis	glucosaminephosphotransferase, putative	0.1345	0.0416	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0031	0.0006	0.0135
Schistosoma mansoni	hypothetical protein	0.003	0.0006	0.0128
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.003	0.0006	0.0125
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0015	0.0001	0.0014
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0103	0.0028	0.0646
Chlamydia trachomatis	dihydrofolate reductase	0.1018	0.0314	0.0826
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0031	0.0006	0.0143
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0015	0.0001	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0064	0.1535
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0015	0.0001	0.0014
Brugia malayi	Pre-SET motif family protein	0.0016	0.0001	0.0026
Schistosoma mansoni	sodium/chloride dependent transporter	0.0031	0.0006	0.0135
Onchocerca volvulus		0.0044	0.001	0.0221
Loa Loa (eye worm)	hypothetical protein	0.1345	0.0416	1
Onchocerca volvulus		0.0016	0.0001	0.0012
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0095	0.0026	0.0026
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0015	0.0363
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0182	0.0053	0.1273
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.0001	0.0014
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0023	0.0023
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0031	0.0006	0.0143
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0103	0.0028	0.0673
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0015	0.0001	0.0022
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0016	0.0001	0.0029
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0006	0.0125
Loa Loa (eye worm)	hypothetical protein	0.003	0.0006	0.0133
Leishmania major	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1345	0.0416	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.077 nM	Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter	ChEMBL.	11958976
IC50 (binding)	= 0.077 nM	Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter	ChEMBL.	11958976
Ki (binding)	= 1.14 nM	Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter	ChEMBL.	11958976
Ki (binding)	= 1.14 nM	Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter	ChEMBL.	11958976
Ratio (binding)	= 0.067	Ratio of serotonin transporter potency to that of dopamine transporter potency	ChEMBL.	11958976
Ratio (binding)	= 0.067	Ratio of serotonin transporter potency to that of dopamine transporter potency	ChEMBL.	11958976

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: CHEMBL168455

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 289289