TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 444.225 | Formula: C21H22Cl4N2
H donors: 1 H acceptors: 0 LogP: 6.71 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1[C@@H]2CC[C@H]1C[C@H](C2)NC(c1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl
InChi: 1S/C21H22Cl4N2/c1-27-15-4-5-16(27)11-14(10-15)26-21(12-2-6-17(22)19(24)8-12)13-3-7-18(23)20(25)9-13/h2-3,6-9,14-16,21,26H,4-5,10-11H2,1H3/t14-,15+,16-
InChiKey: OJNGNVWCSYYTTM-MUJYYYPQSA-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
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	cholinergic receptor, muscarinic 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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 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
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
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
Treponema pallidum	sodium- and chloride- dependent 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
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
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
Loa Loa (eye worm)	hypothetical protein	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 noradrenaline 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
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Neospora caninum	sodium-dependent transporter, putative	Dopamine transporter	619 aa	498 aa	32.3 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Dopamine transporter	619 aa	599 aa	44.2 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Dopamine transporter	619 aa	557 aa	23.9 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Dopamine transporter	619 aa	509 aa	40.1 %
Schistosoma mansoni	sodium/chloride dependent transporter	Dopamine transporter	619 aa	558 aa	41.8 %
Echinococcus granulosus	sodium and chloride dependent glycine	Dopamine transporter	619 aa	594 aa	41.4 %
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	Dopamine transporter	619 aa	604 aa	37.9 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Dopamine transporter	619 aa	551 aa	39.9 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Dopamine transporter	619 aa	636 aa	31.8 %
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	Dopamine transporter	619 aa	578 aa	33.4 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Dopamine transporter	619 aa	578 aa	32.9 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Dopamine transporter	619 aa	578 aa	32.9 %
Plasmodium vivax	hypothetical protein, conserved	Dopamine transporter	619 aa	657 aa	20.1 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Dopamine transporter	619 aa	599 aa	41.9 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Dopamine transporter	619 aa	522 aa	36.0 %
Onchocerca volvulus		Dopamine transporter	619 aa	612 aa	23.5 %
Schistosoma mansoni	sodium/chloride dependent transporter	Dopamine transporter	619 aa	588 aa	40.3 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	importin-beta domain-containing protein	0.0005	0.0013	0.0015
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0312	0.7653
Brugia malayi	orphan nuclear receptor NR2E1	0.0324	0.4078	0.4683
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0688	0.8708	0.8708
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0324	0.4078	0.4683
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0363	0.4574	0.5252
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0324	0.4078	0.4683
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0034	0.004
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0363	0.4574	0.5252
Echinococcus granulosus	importin 5	0.0005	0.0013	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Echinococcus multilocularis	transportin 1	0.0005	0.0013	0.0013
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0145	0.0145
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0034	0.0375	0.084
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0034	0.0375	0.084
Echinococcus multilocularis	serotonin transporter	0.0292	0.3666	0.3666
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0145	0.0145
Toxoplasma gondii	ABC1 family protein	0.0036	0.0404	0.624
Echinococcus granulosus	translational activator gcn1	0.0005	0.0013	0.0015
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0404	0.0943
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0375	0.0431
Onchocerca volvulus		0.005	0.0575	0.066
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0026	0.0345
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0575	0.0575
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0404	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0688	0.8708	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0575	0.066
Toxoplasma gondii	hypothetical protein	0.005	0.0575	0.8975
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0575	0.066
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0145	0.0167
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Plasmodium vivax	amine transporter, putative	0.005	0.0575	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0575	0.8975
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0688	0.8708	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0575	0.066
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.3666	0.4209
Schistosoma mansoni	importin-beta 2	0.0005	0.0013	0.0015
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0215	0.0246
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0688	0.8708	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0404	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0575	0.066
Brugia malayi	photoreceptor-specific nuclear receptor	0.0688	0.8708	1
Brugia malayi	Importin beta-1 subunit	0.0029	0.0312	0.0358
Leishmania major	cytochrome p450-like protein	0.0034	0.0375	0.9274
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0324	0.4078	0.4683
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.3666	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0688	0.8708	1
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0145	0.0167
Echinococcus multilocularis	ecdysone induced protein 78C	0.0688	0.8708	0.8708
Echinococcus multilocularis	importin 5	0.0005	0.0013	0.0013
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0312	0.5321
Loa Loa (eye worm)	hypothetical protein	0.0688	0.8708	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0026	0.0345
Brugia malayi	nuclear hormone receptor family member odr-7	0.0324	0.4078	0.4683
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0242	0.5868
Schistosoma mansoni	cpg binding protein	0.003	0.0332	0.0381
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0404	0.0943
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0324	0.4078	0.4078
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.0722	0.083
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0034	0.0034
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0404	1
Loa Loa (eye worm)	hypothetical protein	0.0363	0.4574	0.5252
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0026	0.0345
Schistosoma mansoni	thyroid hormone receptor	0.0688	0.8708	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0575	0.066
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0404	0.0943
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0312	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0688	0.8708	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0575	0.066
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0404	0.0943
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0575	0.066
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0688	0.8708	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0363	0.4574	0.5252
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0215	0.3589
Schistosoma mansoni	hypothetical protein	0.0309	0.3881	0.4457
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0575	0.066
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0375	0.0431
Brugia malayi	kap beta 3 protein	0.0005	0.0013	0.0015
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0404	1
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0242	0.5868
Brugia malayi	nuclear receptor NHR-67	0.0324	0.4078	0.4683
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0404	0.0464
Leishmania major	cytochrome p450-like protein	0.0034	0.0375	0.9274
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0688	0.8708	0.8708
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0034	0.0375	0.084
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0688	0.8708	1
Brugia malayi	beta-lactamase	0.0036	0.0404	0.0464
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0688	0.8708	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0575	0.5
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0034	0.0375	0.084
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0145	0.3386
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0575	0.066
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0034	0.0375	0.084
Onchocerca volvulus		0.0036	0.0404	0.0464
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0057	0.0065
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0324	0.4078	0.4683
Schistosoma mansoni	nuclear hormone receptor	0.0688	0.8708	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0055	0.0064
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0404	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0575	0.066
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0404	0.0464
Loa Loa (eye worm)	hypothetical protein	0.005	0.0575	0.066
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0324	0.4078	0.4683
Brugia malayi	beta-lactamase family protein	0.0036	0.0404	0.0464
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0034	0.0375	0.084
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0688	0.8708	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0688	0.8708	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0688	0.8708	0.8708
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0312	0.4776
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0688	0.8708	1
Echinococcus multilocularis		0.0034	0.0375	0.0375
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0575	0.066
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0404	0.0943
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.2886	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0311	0.0357
Brugia malayi	hypothetical protein	0.0324	0.4078	0.4683
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0575	0.066
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0575	0.8975
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0688	0.8708	1
Trypanosoma cruzi	cytochrome P450, putative	0.0034	0.0375	0.8902
Onchocerca volvulus		0.0324	0.4078	0.4683
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0688	0.8708	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0363	0.4574	0.5252
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0145	0.0167
Toxoplasma gondii	hypothetical protein	0.005	0.0575	0.8975
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0026	0.0345
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0688	0.8708	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0404	0.0464
Entamoeba histolytica	Ran family GTPase	0.0021	0.0215	0.8795
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.3666	0.4209
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0312	0.7653
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0404	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0575	0.0575
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0404	1
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Loa Loa (eye worm)	hypothetical protein	0.0363	0.4574	0.5252
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0575	0.066
Echinococcus multilocularis	translational activator gcn1	0.0005	0.0013	0.0013
Entamoeba histolytica	hypothetical protein	0.0023	0.0242	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0688	0.8708	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0324	0.4078	0.4078
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0215	0.0246
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0375	0.0431
Brugia malayi	hypothetical protein	0.0363	0.4574	0.5252
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0215	0.2684
Brugia malayi	ecdysteroid receptor	0.0688	0.8708	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.0375	0.0431
Schistosoma mansoni	importin beta-1	0.0029	0.0312	0.0358
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0034	0.0375	0.084
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0215	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0324	0.4078	0.4683
Onchocerca volvulus		0.0036	0.0404	0.0464
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0575	0.066
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0688	0.8708	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0404	0.0464
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0145	0.0167
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0404	0.0404
Leishmania major	hypothetical protein, conserved	0.0036	0.0404	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0324	0.4078	0.4683
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0026	0.0345
Schistosoma mansoni	coup transcription factor	0.0688	0.8708	1
Loa Loa (eye worm)	hypothetical protein	0.0363	0.4574	0.5252
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0575	0.066
Brugia malayi	nuclear receptor NHR-88	0.0688	0.8708	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0575	0.066
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0404	0.0943
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0034	0.0375	0.084
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0404	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0145	0.3386
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0688	0.8708	1
Loa Loa (eye worm)	steroid hormone receptor	0.0688	0.8708	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0404	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3666	0.4209
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0404	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0363	0.4574	0.4574
Brugia malayi	Steroid receptor seven-up type 2	0.0688	0.8708	1
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0324	0.4078	0.4078
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0575	0.0575
Brugia malayi	nuclear receptor NHR-88	0.0324	0.4078	0.4683
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0145	0.2354
Loa Loa (eye worm)	CYP4Cod1	0.0034	0.0375	0.0431
Onchocerca volvulus	Bile acid receptor homolog	0.0688	0.8708	1
Echinococcus multilocularis	geminin	0.017	0.2111	0.2111
Leishmania major	GTP-binding protein, putative	0.0021	0.0215	0.5161
Plasmodium falciparum	importin beta, putative	0.0029	0.0312	0.5321
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0688	0.8708	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0215	0.2684
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0145	0.0145
Schistosoma mansoni	nuclear hormone receptor	0.0324	0.4078	0.4683
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0309	0.3881	0.4457
Schistosoma mansoni	cytochrome P450	0.0034	0.0375	0.0431
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0215	0.5161
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0145	0.0167
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0404	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0034	0.0375	0.8902
Brugia malayi	hypothetical protein	0.0363	0.4574	0.5252
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0404	0.0943
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0363	0.4574	0.5252
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0034	0.0375	0.9274
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0034	0.0375	0.084
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0688	0.8708	0.8708
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Schistosoma mansoni	hypothetical protein	0.017	0.2111	0.2424
Brugia malayi	follicle stimulating hormone receptor	0.0235	0.2943	0.3379
Onchocerca volvulus		0.0324	0.4078	0.4683
Schistosoma mansoni	nuclear receptor	0.0324	0.4078	0.4683
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0688	0.8708	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0688	0.8708	0.8708
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.3666	0.4209
Brugia malayi	nuclear receptor RXR	0.0324	0.4078	0.4683
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0688	0.8708	1
Echinococcus granulosus	cytochrome P450 2K1	0.0034	0.0375	0.0431
Echinococcus granulosus	transportin 1	0.0005	0.0013	0.0015
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0575	1
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0404	0.0943
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0034	0.0375	0.084
Trichomonas vaginalis	ran, putative	0.0021	0.0215	0.5161
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0034	0.0034
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0575	0.8975
Brugia malayi	nuclear hormone receptor	0.0688	0.8708	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0688	0.8708	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0688	0.8708	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.0639	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0324	0.4078	0.4683
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0145	0.3386
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0034	0.0375	0.8902
Schistosoma mansoni	nuclear receptor	0.0324	0.4078	0.4683
Onchocerca volvulus		0.005	0.0575	0.066
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0575	0.066
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0215	0.0215
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0575	0.0575
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0324	0.4078	0.4078
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0034	0.0375	0.084
Loa Loa (eye worm)	hypothetical protein	0.005	0.0575	0.066
Schistosoma mansoni	RAR-like nuclear receptor	0.0688	0.8708	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0688	0.8708	0.8708
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Schistosoma mansoni	ran	0.0021	0.0215	0.0246
Onchocerca volvulus		0.005	0.0575	0.066
Brugia malayi	steroid hormone receptor	0.0688	0.8708	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0688	0.8708	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0575	0.0575
Trichomonas vaginalis	helicase, putative	0.0007	0.0026	0.0345
Echinococcus granulosus	thyroid hormone receptor alpha	0.0324	0.4078	0.4683
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0145	0.2354
Loa Loa (eye worm)	DR-78	0.0324	0.4078	0.4683
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0034	0.0375	0.084
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0575	0.066
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3666	0.4209
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0034	0.0375	0.084
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0034	0.004
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Schistosoma mansoni	zinc finger protein	0.0324	0.4078	0.4683
Brugia malayi	RNA, U transporter 1	0.0082	0.0992	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0688	0.8708	1
Brugia malayi	nuclear hormone receptor	0.0324	0.4078	0.4683
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0311	0.0357
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0688	0.8708	1
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0215	0.3221
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0145	0.2113
Loa Loa (eye worm)	kap beta 3 protein	0.0005	0.0013	0.0015
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0404	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Loa Loa (eye worm)	cytochrome P450	0.0034	0.0375	0.0431
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0026	0.0345
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0575	1
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.0375	0.0431
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0688	0.8708	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0242	0.5868
Brugia malayi	hypothetical protein	0.0324	0.4078	0.4683
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0575	0.066
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0145	0.0145
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0688	0.8708	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0575	0.066
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0688	0.8708	1
Brugia malayi	nuclear receptor RXR	0.0363	0.4574	0.5252
Brugia malayi	tailless protein	0.0324	0.4078	0.4683
Schistosoma mansoni	ran	0.0021	0.0215	0.0246
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0363	0.4574	0.5252
Brugia malayi	hypothetical protein	0.005	0.0575	0.066
Schistosoma mansoni	thyroid hormone receptor	0.0688	0.8708	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0324	0.4078	0.4683
Echinococcus granulosus	serotonin transporter	0.0292	0.3666	0.4209
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0688	0.8708	1
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0575	0.066
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0324	0.4078	0.4683
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0688	0.8708	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0575	0.066
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.3666	0.4209
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0235	0.2943	0.3379
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.3666	0.4209
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0057	0.0065
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0688	0.8708	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0575	0.066
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0575	0.066
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3666	0.4209
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0312	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0404	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0363	0.4574	0.5252
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0034	0.004
Echinococcus granulosus	geminin	0.017	0.2111	0.2424
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0688	0.8708	1
Echinococcus granulosus	FTZ F1 alpha	0.0688	0.8708	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0404	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0688	0.8708	1
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0375	0.0431
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0688	0.8708	1
Plasmodium falciparum	transporter, putative	0.005	0.0575	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0034	0.0375	0.084
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0026	0.0345
Leishmania major	cytochrome p450-like protein	0.0034	0.0375	0.9274
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0404	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0215	0.0246
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.3666	0.4209
Schistosoma mansoni	nuclear receptor nhr-48	0.0324	0.4078	0.4683
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0404	0.0464
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0034	0.0375	0.084
Brugia malayi	conserved hypotetical protein	0.0324	0.4078	0.4683
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0688	0.8708	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0688	0.8708	1
Schistosoma mansoni	cpg binding protein	0.003	0.0332	0.0381
Echinococcus granulosus	ecdysone induced protein 78C	0.0688	0.8708	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0324	0.4078	0.4683
Onchocerca volvulus		0.0036	0.0404	0.0464
Brugia malayi	ecdysone receptor	0.0324	0.4078	0.4683
Trypanosoma cruzi	cytochrome P450, putative	0.0034	0.0375	0.8902
Trypanosoma brucei	cytochrome P450, putative	0.0034	0.0375	0.9274
Schistosoma mansoni	hypothetical protein	0.0034	0.0375	0.0431
Brugia malayi	beta-lactamase family protein	0.0036	0.0404	0.0464
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0324	0.4078	0.4683
Echinococcus multilocularis	cpg binding protein	0.003	0.0332	0.0332
Schistosoma mansoni	cpg binding protein	0.0029	0.0311	0.0357
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0688	0.8708	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0688	0.8708	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0034	0.0375	0.8902
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0404	0.0943
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0026	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0312	0.0358
Brugia malayi	cytochrome P450	0.0034	0.0375	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0404	0.0464
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0034	0.0375	0.084
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0034	0.0375	0.084
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Echinococcus multilocularis	snurportin 1	0.0309	0.3881	0.3881
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0404	1
Schistosoma mansoni	hypothetical protein	0.017	0.2111	0.2424
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0688	0.8708	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0688	0.8708	1
Echinococcus granulosus	cpg binding protein	0.003	0.0332	0.0381
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0688	0.8708	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0404	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Loa Loa (eye worm)	hypothetical protein	0.0363	0.4574	0.5252
Mycobacterium ulcerans	lipase LipD	0.0036	0.0404	1
Loa Loa (eye worm)	hypothetical protein	0.0688	0.8708	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0575	0.066
Onchocerca volvulus		0.0029	0.0311	0.0357
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.0375	0.0431
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0324	0.4078	0.4078
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0575	0.066
Loa Loa (eye worm)	hypothetical protein	0.005	0.0575	0.066
Schistosoma mansoni	nuclear hormone receptor	0.0324	0.4078	0.4683
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0026	0.0345
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0242	0.5868
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0034	0.0375	0.084
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0324	0.4078	0.4078
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0034	0.0375	0.084
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0324	0.4078	0.4683
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0688	0.8708	0.8708
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0034	0.0375	0.9274
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0688	0.8708	1
Onchocerca volvulus		0.0688	0.8708	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0404	1
Brugia malayi	Nuclear hormone receptor E75	0.0324	0.4078	0.4683
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0404	0.0464
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0404	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0688	0.8708	1
Onchocerca volvulus		0.0292	0.3666	0.4209
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0215	0.3589
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0404	1
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4078	0.4683
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0034	0.0375	0.5787
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0688	0.8708	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0404	0.6953
Echinococcus multilocularis	FTZ F1 alpha	0.0688	0.8708	0.8708
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0145	0.2113
Echinococcus granulosus	nuclear receptor nhr 48	0.0324	0.4078	0.4683
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0575	0.066
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0034	0.0375	0.084
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0242	0.3753
Loa Loa (eye worm)	nuclear hormone receptor	0.0324	0.4078	0.4683
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0404	1
Echinococcus granulosus	snurportin 1	0.0309	0.3881	0.4457

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 5.35 nM	Displacement of [3H]WIN from DAT in rat brain membrane	ChEMBL.	16213721
Ki (binding)	= 17.8 nM	Displacement of [3H]Pirenzepine from Muscarinic receptor M1	ChEMBL.	16213721
Ki (binding)	= 259 nM	Displacement of [3H]Nisoxetine from NET	ChEMBL.	16213721
Ki (binding)	= 3010 nM	Displacement of [3H]Citalopram from SERT	ChEMBL.	16213721

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: CHEMBL3085032

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1816673