TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 337.287 | Formula: C18H22Cl2N2
H donors: 1 H acceptors: 0 LogP: 4.52 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1CC(c1ccccc1)N1CCNCC1.Cl
InChi: 1S/C18H21ClN2.ClH/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21;/h1-9,18,20H,10-14H2;1H
InChiKey: IBUZSMCHAASZTO-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 4	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
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 mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma 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
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
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)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine 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
Echinococcus granulosus	serotonin 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
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582

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 2	617 aa	638 aa	32.5 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.004	0.0181	0.0462
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.356	0.3939
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.004	0.0181	0.0479
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0119	0.1236	0.123
Schistosoma mansoni	glutamate receptor kainate	0.0079	0.0695	0.0763
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0308	0.3772	1
Brugia malayi	metabotropic glutamate receptor type 2	0.004	0.0181	0.0462
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0305	0.072
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0305	0.0331
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0305	0.0809
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0305	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0268	0.0711
Onchocerca volvulus		0.0035	0.0108	0.0285
Brugia malayi	beta-lactamase family protein	0.0035	0.0108	0.0269
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0036	0.0033
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0305	0.0299
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.031	0.0336
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0108	0.0101
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0305	0.0331
Echinococcus multilocularis	microtubule associated protein 2	0.0699	0.9027	0.9026
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0018	0.0048
Echinococcus multilocularis	nmda type glutamate receptor	0.0772	1	1
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0079	0.0695	0.0689
Schistosoma mansoni	hypothetical protein	0.0079	0.0695	0.0763
Schistosoma mansoni	tyrosine kinase	0.004	0.0181	0.0193
Loa Loa (eye worm)	hypothetical protein	0.004	0.0171	0.0454
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0211	0.3419
Echinococcus granulosus	peregrin	0.0036	0.0117	0.011
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0305	0.0809
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0305	0.0793
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0036	0.003
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.004	0.0181	0.0479
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Brugia malayi	acetyltransferase, GNAT family protein	0.0149	0.1644	0.4347
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0062	0.0468	0.1427
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0286
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.004	0.0181	0.0174
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.05	0.0494
Toxoplasma gondii	fructose-bisphospatase I	0.0114	0.1177	0.3052
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0308	0.3772	0.3768
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.028	0.3399	0.3395
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0119	0.1236	0.123
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.0252	0.4126
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0305	0.0299
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.0672	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0286
Loa Loa (eye worm)	RGC/RGC protein kinase	0.004	0.0181	0.0479
Loa Loa (eye worm)	RGC/RGC protein kinase	0.004	0.0181	0.0479
Echinococcus multilocularis	glutamate receptor 2	0.004	0.0181	0.0174
Brugia malayi	Glutamate receptor 2 precursor	0.0079	0.0695	0.1828
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0201	0.2344	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0108	0.0386
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0171	0.0463
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0119	0.1236	0.123
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0201	0.2344	0.8862
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0149	0.1644	0.1815
Brugia malayi	Bromodomain containing protein	0.008	0.0708	0.1863
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0588	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.0588	0.1558
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0079	0.0695	0.0689
Echinococcus granulosus	tyrosine kinase	0.004	0.0181	0.0174
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.0114	0.1177	0.3086
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0108	0.0386
Loa Loa (eye worm)	RGC/RGC protein kinase	0.004	0.0181	0.0479
Loa Loa (eye worm)	hypothetical protein	0.005	0.0305	0.0809
Brugia malayi	PHD-finger family protein	0.0029	0.0027	0.0054
Loa Loa (eye worm)	hypothetical protein	0.005	0.0305	0.0809
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0146	0.0154
Echinococcus multilocularis	NMDA receptor	0.0079	0.0695	0.0689
Echinococcus granulosus	chromobox protein 1	0.0071	0.0588	0.0581
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.012	0.0113
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0007	0.0018
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0114	0.1177	0.3086
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0108	0.0101
Echinococcus granulosus	serotonin transporter	0.0292	0.356	0.3556
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0108	0.0386
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0108	0.0112
Schistosoma mansoni	glutamate receptor kainate	0.0079	0.0695	0.0763
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0588	0.0581
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0036	0.0097
Echinococcus multilocularis	nmda type glutamate receptor	0.0532	0.6782	0.6779
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0119	0.1236	0.123
Schistosoma mansoni	chromobox protein	0.0071	0.0588	0.0644
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0171	0.2714
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0305	0.0331
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.356	0.9438
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.0252	0.0577
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0129	0.1366	0.5793
Leishmania major	hypothetical protein, conserved	0.0035	0.0108	0.0239
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0079	0.0695	0.0689
Loa Loa (eye worm)	glutamate receptor 1	0.0079	0.0695	0.1842
Schistosoma mansoni	tyrosine kinase	0.004	0.0181	0.0193
Echinococcus multilocularis	tyrosine kinase	0.004	0.0181	0.0174
Leishmania major		0.0308	0.3772	1
Schistosoma mansoni	protein kinase	0.004	0.0181	0.0193
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.0114	0.1177	0.3052
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0305	0.0793
Brugia malayi	jmjC domain containing protein	0.0038	0.0146	0.037
Brugia malayi	beta-lactamase	0.0035	0.0108	0.0269
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.0252	0.0245
Brugia malayi	Bromodomain containing protein	0.0036	0.0117	0.0293
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.004	0.0181	0.0174
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0308	0.3772	1
Echinococcus granulosus	atrial natriuretic peptide receptor	0.004	0.0181	0.0174
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0146	0.0139
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0119	0.1236	0.123
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0056	0.0149
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0305	0.0331
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0305	0.072
Echinococcus multilocularis	glutamate receptor NMDA	0.0492	0.6241	0.6238
Brugia malayi	Heterochromatin protein 1	0.0071	0.0588	0.1543
Echinococcus granulosus	receptor type guanylyl cyclase	0.004	0.0181	0.0174
Echinococcus granulosus	nmda type glutamate receptor	0.0532	0.6782	0.6779
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0211	0.0576
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0305	0.0331
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0119	0.1236	0.123
Onchocerca volvulus		0.005	0.0305	0.084
Echinococcus multilocularis	serotonin transporter	0.0292	0.356	0.3556
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0305	0.0793
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0108	0.0239
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0114	0.1177	0.3086
Loa Loa (eye worm)	CYP4Cod1	0.0028	0.0018	0.0048
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0305	0.0299
Schistosoma mansoni	metabotropic glutamate receptor	0.004	0.0181	0.0193
Schistosoma mansoni	chromobox protein	0.0071	0.0588	0.0644
Entamoeba histolytica	hypothetical protein	0.004	0.0181	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0146	0.0154
Echinococcus granulosus	glutamate receptor 2	0.0119	0.1236	0.123
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.0252	0.0577
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0108	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0602	0.1596
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0133	0.1424	0.1418
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0079	0.0695	0.0689
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0108	0.0286
Echinococcus granulosus	glutamate receptor NMDA	0.0492	0.6241	0.6238
Schistosoma mansoni	hypothetical protein	0.003	0.0036	0.0033
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.2631	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0239	0.2853	0.7563
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0171	0.2714
Loa Loa (eye worm)	hypothetical protein	0.005	0.0305	0.0809
Echinococcus multilocularis	glutamate receptor 2	0.0119	0.1236	0.123
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0308	0.3772	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0305	0.0331
Plasmodium falciparum	transporter, putative	0.005	0.0305	0.2155
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0108	0.0239
Loa Loa (eye worm)	hypothetical protein	0.003	0.0036	0.0097
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0459	0.1216
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Schistosoma mansoni	glutamate receptor AMPA	0.0079	0.0695	0.0763
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0018	0.0048
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0108	0.0286
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0305	0.0299
Mycobacterium ulcerans	lipoprotein LpqF	0.0062	0.0468	0.1935
Echinococcus multilocularis	peregrin	0.0036	0.0117	0.011
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0007	0.0018
Brugia malayi	Bromodomain containing protein	0.0042	0.0209	0.0538
Trypanosoma brucei	beta lactamase	0.0062	0.0468	0.1199
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0146	0.0387
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.0939	0.0933
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.004	0.0181	0.0479
Onchocerca volvulus	Alhambra homolog	0.003	0.0036	0.0084
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.356	0.9437
Schistosoma mansoni	glutamate receptor AMPA	0.0079	0.0695	0.0763
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0171	1
Echinococcus multilocularis	glutamate receptor 2	0.0079	0.0695	0.0689
Brugia malayi	fructose-1,6-bisphosphatase	0.0308	0.3772	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.0252	0.1726
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0129	0.1366	0.4984
Brugia malayi	beta-lactamase family protein	0.0035	0.0108	0.0269
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0192	0.0185
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0305	0.0331
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0108	0.0574
Chlamydia trachomatis	glutamine binding protein	0.0201	0.2344	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.0252	0.4126
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0305	0.0793
Brugia malayi	Glutamate receptor 1 precursor	0.0079	0.0695	0.1828
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0108	0.0239
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0018	0.0031
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0062	0.0468	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0305	0.0299
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0305	0.0299
Loa Loa (eye worm)	glutamate receptor 2	0.0079	0.0695	0.1842
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0119	0.1236	0.123
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0171	0.1081
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0133	0.1424	0.1418
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0079	0.0695	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0286
Schistosoma mansoni	bromodomain containing protein	0.0068	0.0549	0.0601
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.356	0.9438
Loa Loa (eye worm)	glutamate receptor	0.004	0.0181	0.0479
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0305	0.0299
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0201	0.2344	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0143	0.1556	0.1551
Echinococcus granulosus	chromobox protein 1	0.0071	0.0588	0.0581
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0108	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0292	0.356	0.9438
Schistosoma mansoni	glutamate receptor NMDA	0.0611	0.7837	0.868
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0108	0.1611
Echinococcus granulosus	microtubule associated protein 2	0.0699	0.9027	0.9026
Brugia malayi	hypothetical protein	0.005	0.0305	0.0793
Onchocerca volvulus		0.004	0.0181	0.049
Loa Loa (eye worm)	hypothetical protein	0.0292	0.356	0.9438
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.004	0.0181	0.049
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0305	0.2155
Onchocerca volvulus		0.0031	0.0056	0.014
Echinococcus granulosus	glutamate receptor 2	0.004	0.0181	0.0174
Loa Loa (eye worm)	hypothetical protein	0.005	0.0305	0.0809
Schistosoma mansoni	metabotropic glutamate receptor	0.004	0.0181	0.0193
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0308	0.3772	0.4174
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0119	0.1236	0.123
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0211	0.3419
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0162	0.0429
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.0939	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0292	0.356	0.9438
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0286
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0079	0.0695	0.0689
Onchocerca volvulus		0.004	0.0181	0.049
Brugia malayi	Receptor family ligand binding region containing protein	0.004	0.0181	0.0462
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0305	0.2155
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0108	0.1611
Leishmania major	extracellular receptor, putative	0.004	0.0181	0.0433
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0308	0.3772	0.3768
Plasmodium falciparum	MO15-related protein kinase	0.0122	0.1284	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.004	0.0181	0.0174
Loa Loa (eye worm)	hypothetical protein	0.005	0.0305	0.0809
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0588	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0305	0.0299
Onchocerca volvulus		0.005	0.0305	0.084
Trypanosoma cruzi	extracellular receptor, putative	0.004	0.0181	0.0433
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0129	0.0122
Brugia malayi	PHD-finger family protein	0.003	0.0036	0.0079
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0129	0.0122
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.356	0.9438
Onchocerca volvulus		0.0292	0.356	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0305	0.0809
Brugia malayi	Metabotropic glutamate receptor precursor.	0.004	0.0181	0.0462
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0108	0.1611
Brugia malayi	Receptor family ligand binding region containing protein	0.004	0.0181	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0286
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0108	0.0386
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.004	0.0181	0.0174
Brugia malayi	chromobox protein homolog 3	0.004	0.0171	0.0437
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0108	0.0269
Schistosoma mansoni	glutamate receptor NMDA	0.0133	0.1424	0.1571
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0108	0.1611
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0018	0.0031
Onchocerca volvulus		0.0035	0.0108	0.0285
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0149	0.1644	0.1638
Plasmodium vivax	amine transporter, putative	0.005	0.0305	0.2155
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.05	0.0494
Brugia malayi	jmjC domain containing protein	0.0097	0.0939	0.2475
Loa Loa (eye worm)	cytochrome P450 family protein	0.0062	0.0468	0.1241
Echinococcus multilocularis	receptor type guanylyl cyclase	0.004	0.0181	0.0174
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0588	0.0581
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0305	0.0331
Schistosoma mansoni	microtubule-associated protein tau	0.0699	0.9027	1
Brugia malayi	follicle stimulating hormone receptor	0.0239	0.2853	0.7558
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0108	0.1611
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.004	0.0181	0.0462
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0114	0.1176	0.305
Schistosoma mansoni	glutamate receptor kainate	0.0079	0.0695	0.0763
Toxoplasma gondii	hypothetical protein	0.005	0.0305	0.072
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0305	0.072
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Toxoplasma gondii	hypothetical protein	0.005	0.0305	0.072
Trichomonas vaginalis	esterase, putative	0.0035	0.0108	0.1611
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.356	0.3939
Brugia malayi	Cytochrome P450 family protein	0.0062	0.0468	0.1225
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0122	0.1284	1
Loa Loa (eye worm)	acetyltransferase	0.0149	0.1644	0.4357
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.356	1
Onchocerca volvulus		0.0035	0.0108	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0286
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0305	0.0299
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0308	0.3772	1
Schistosoma mansoni	ATP-binding cassette transporter	0.0079	0.0695	0.0763
Onchocerca volvulus		0.005	0.0305	0.084
Echinococcus granulosus	metabotropic glutamate receptor 2	0.004	0.0181	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0051	0.032	0.0848
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0079	0.0695	0.0689
Toxoplasma gondii	fructose-bisphospatase II	0.0308	0.3772	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0305	0.0299
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0192	0.0185
Brugia malayi	Guanylyl cyclase protein 23	0.004	0.0181	0.0462
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Toxoplasma gondii	ABC1 family protein	0.0035	0.0108	0.0192
Loa Loa (eye worm)	hypothetical protein	0.004	0.0181	0.0479
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0305	0.0299
Loa Loa (eye worm)	hypothetical protein	0.005	0.0305	0.0809
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0036	0.003
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0305	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0242	0.0642

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.9 nM	Inhibition of [3H]5HT reuptake at 5HT transporter in HEK293 cells	ChEMBL.	16750363
IC50 (binding)	= 13 nM	Inhibition of [3H]5HT reuptake at 5HT transporter in HEK293 cells	ChEMBL.	16750363
IC50 (binding)	= 19 nM	Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells	ChEMBL.	16750363
IC50 (binding)	= 50 nM	Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells	ChEMBL.	16750363
IC50 (binding)	= 1600 nM	Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells	ChEMBL.	16750363
IC50 (binding)	= 2900 nM	Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells	ChEMBL.	16750363
IC50 (ADMET)	= 0.5 uM	Inhibition of CYP2D6	ChEMBL.	16750363
IC50 (ADMET)	= 0.6 uM	Inhibition of CYP2D6	ChEMBL.	16750363
IC50 (ADMET)	= 14 uM	Inhibition of CYP2C19	ChEMBL.	16750363
IC50 (ADMET)	= 23 uM	Inhibition of CYP2C9	ChEMBL.	16750363
IC50 (ADMET)	= 26 uM	Inhibition of CYP1A2	ChEMBL.	16750363
IC50 (ADMET)	> 30 uM	Inhibition of CYP3A4	ChEMBL.	16750363
IC50 (ADMET)	> 30 uM	Inhibition of CYP1A2	ChEMBL.	16750363

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: CHEMBL534942

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1031134