TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.259 | Formula: C20H16Cl2N2O3
H donors: 0 H acceptors: 3 LogP: 5.64 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCc1onc(n1)c1ccccc1
InChi: 1S/C20H16Cl2N2O3/c1-3-12(2)19(25)14-9-10-15(18(22)17(14)21)26-11-16-23-20(24-27-16)13-7-5-4-6-8-13/h4-10H,2-3,11H2,1H3
InChiKey: OPMAURBADQQBFW-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	glutathione S-transferase pi 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	glutathione transferase	Get druggable targets OG5_138481	All targets in OG5_138481
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_138481	All targets in OG5_138481

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	glutathione S-transferase	glutathione S-transferase pi 1	210 aa	200 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	cpg binding protein	0.0033	0.0303	0.1477
Brugia malayi	Smad1	0.0009	0.0022	0.0078
Schistosoma mansoni	ferritin	0.0009	0.002	0.0098
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0151	0.3953
Echinococcus multilocularis	smad	0.0009	0.0022	0.0022
Leishmania major	pyruvate kinase	0.0033	0.0299	0.795
Schistosoma mansoni	ferritin light chain	0.0009	0.002	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0247	0.0863
Brugia malayi	hypothetical protein	0.002	0.0151	0.0529
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0184	0.0645
Brugia malayi	Glutathione S-transferase 4	0.0024	0.0205	0.0718
Brugia malayi	beta-lactamase	0.0039	0.0374	0.1308
Plasmodium falciparum	glutathione S-transferase	0.0032	0.029	0.9695
Loa Loa (eye worm)	RNA binding protein	0.0069	0.0718	0.251
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0299	0.0299
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0374	0.1267
Schistosoma mansoni	lipoxygenase	0.0119	0.1297	0.632
Echinococcus granulosus	eukaryotic translation elongation factor 1	0.0007	0.0006	0.002
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0374	0.1308
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0374	0.1823
Schistosoma mansoni	elongation factor 1-gamma	0.0007	0.0006	0.0027
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0718	0.3498
Entamoeba histolytica	hypothetical protein	0.0078	0.0821	1
Brugia malayi	MH2 domain containing protein	0.0009	0.0022	0.0078
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0032	0.0154
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0032	0.0111
Schistosoma mansoni	rab6-interacting	0.002	0.0151	0.0737
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0374	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0299	0.1044
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0022	0.0109
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0151	0.0151
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0033	0.0033
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0718	0.3498
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0374	1
Onchocerca volvulus		0.002	0.0151	0.0699
Echinococcus multilocularis	lamin	0.0058	0.0596	0.0596
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0374	0.1267
Echinococcus granulosus	pyruvate kinase	0.0033	0.0299	0.1044
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0374	0.1308
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0521	0.1821
Brugia malayi	MH1 domain containing protein	0.0009	0.0022	0.0078
Echinococcus multilocularis	glutathione S transferase	0.0024	0.0205	0.0205
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0003	0.0083
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0003	0.0083
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0374	1
Schistosoma mansoni	hypothetical protein	0.0184	0.2052	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0022	0.0078
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0119	0.1297	0.4535
Plasmodium falciparum	pyruvate kinase 2	0.0017	0.0115	0.3731
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0455	0.159
Schistosoma mansoni	hypothetical protein	0.0078	0.0821	0.4
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0374	1
Echinococcus granulosus	Smad4	0.0009	0.0022	0.0078
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0011	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0232	0.2613	0.9137
Echinococcus granulosus	prostaglandin H2 D isomerase	0.0032	0.029	0.1013
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0184	0.0645
Trichomonas vaginalis	helicase, putative	0.0007	0.0003	0.0083
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0022	0.0022
Echinococcus granulosus	lamin dm0	0.0058	0.0596	0.2082
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0151	0.0529
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0003	0.0083
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0022	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0374	0.1308
Schistosoma mansoni	smad	0.0009	0.0022	0.0109
Trichomonas vaginalis	glutaminyl-tRNA synthetase, putative	0.0024	0.0205	0.5487
Echinococcus multilocularis	musashi	0.0058	0.0596	0.0596
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0022	0.0078
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0032	0.0111
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Plasmodium vivax	pyruvate kinase 2, putative	0.0017	0.0115	0.2966
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.0821	0.0821
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0455	0.159
Echinococcus granulosus	pyruvate kinase	0.0033	0.0299	0.1044
Echinococcus multilocularis	ferritin	0.0009	0.002	0.002
Loa Loa (eye worm)	DIX domain-containing protein	0.001	0.0032	0.0111
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0299	0.5
Toxoplasma gondii	ABC1 family protein	0.0039	0.0374	0.6142
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0455	0.159
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0374	0.1308
Brugia malayi	beta-lactamase family protein	0.0039	0.0374	0.1308
Echinococcus multilocularis	glutathione S transferase	0.0032	0.029	0.029
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0282	0.0988
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0299	0.1044
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2165	0.7569
Schistosoma mansoni	hypothetical protein	0.0184	0.2052	1
Onchocerca volvulus		0.0039	0.0374	0.1728
Onchocerca volvulus		0.0052	0.0521	0.2405
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0058	0.0596	0.2082
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0374	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0583	0.2039
Schistosoma mansoni	cpg binding protein	0.0031	0.0282	0.1376
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0111
Brugia malayi	N-terminal motif family protein	0.0193	0.2165	0.7569
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0374	0.1267
Echinococcus multilocularis	glutathione S transferase	0.0007	0.0006	0.0006
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0299	0.795
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0032	0.0154
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0032	0.0032
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0011	0.0011
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0011	0.0011
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0299	0.1379
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0151	0.4972
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Echinococcus multilocularis	glutathione S transferase	0.0007	0.0006	0.0006
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0299	0.0996
Entamoeba histolytica	hypothetical protein	0.0078	0.0821	1
Treponema pallidum	bacterioferrin (TpF1)	0.0009	0.002	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.0821	0.4
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0374	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0374	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0151	0.0151
Onchocerca volvulus		0.0058	0.0596	0.2751
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0299	0.7981
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.1405	0.4912
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0032	0.0111
Schistosoma mansoni	lipoxygenase	0.0083	0.0883	0.4303
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0374	0.1308
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Echinococcus granulosus	ferritin	0.0009	0.002	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0374	0.1308
Onchocerca volvulus		0.0039	0.0374	0.1728
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0374	0.1308
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0009	0.002	0.5
Brugia malayi	beta-lactamase family protein	0.0039	0.0374	0.1308
Brugia malayi	glutathione transferase	0.0232	0.2613	0.9137
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0032	0.0032
Toxoplasma gondii	hypothetical protein	0.001	0.0032	0.0435
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.001	0.0032	0.0146
Brugia malayi	MH1 domain containing protein	0.0009	0.0022	0.0078
Echinococcus multilocularis	glutathione s transferase mu	0.0032	0.029	0.029
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0219	0.0219
Schistosoma mansoni	hypothetical protein	0.0052	0.0521	0.2537
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0374	1
Schistosoma mansoni	dishevelled	0.001	0.0032	0.0154
Giardia lamblia	Pyruvate kinase	0.0033	0.0299	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0115	0.0115
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0374	0.1267
Onchocerca volvulus		0.0024	0.0205	0.0948
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0299	0.4882
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.0718	0.0718
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0151	0.0529
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0032	0.0032
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0003	0.0083
Echinococcus multilocularis	cpg binding protein	0.0033	0.0303	0.0303
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0299	0.795
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0374	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0374	1
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0521	0.2537
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0374	0.1823
Echinococcus granulosus	lamin	0.0058	0.0596	0.2082
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0205	0.0718
Entamoeba histolytica	hypothetical protein	0.0078	0.0821	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0119	0.1297	0.1297
Echinococcus granulosus	glutathione s transferase mu	0.0032	0.029	0.1013
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0032	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0596	0.2082
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0003	0.0083
Trichomonas vaginalis	esterase, putative	0.0039	0.0374	1
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0299	0.1044
Echinococcus granulosus	intermediate filament protein	0.0058	0.0596	0.2082
Loa Loa (eye worm)	hypothetical protein	0.0253	0.286	1
Schistosoma mansoni	Glutathione S-transferase 28 kDa (GST 28) (GST class-mu)	0.0032	0.029	0.1411
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0193	0.2165	1
Brugia malayi	MH2 domain containing protein	0.0009	0.0022	0.0078
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0299	0.1044
Echinococcus granulosus	pyruvate kinase	0.0017	0.0115	0.0402
Schistosoma mansoni	ferritin	0.0009	0.002	0.0098
Echinococcus granulosus	glutathione S transferase	0.0007	0.0006	0.002
Echinococcus multilocularis	survival motor neuron protein 1	0.0253	0.286	0.286
Onchocerca volvulus		0.0031	0.0282	0.1305
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0299	0.7865
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.0718	0.251
Schistosoma mansoni	cpg binding protein	0.0033	0.0303	0.1477
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0718	0.3498
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0151	0.0529
Brugia malayi	TAR-binding protein	0.0069	0.0718	0.251
Onchocerca volvulus		0.001	0.0032	0.0146
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Brugia malayi	pyruvate kinase	0.0007	0.0001	0.0003
Onchocerca volvulus		0.0039	0.0374	0.1728
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.001	0.0032	0.0111
Entamoeba histolytica	hypothetical protein	0.0078	0.0821	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0455	0.2216
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Brugia malayi	MH2 domain containing protein	0.0128	0.1405	0.4912
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0455	0.159
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0374	0.1308
Schistosoma mansoni	dep domain containing protein	0.001	0.0032	0.0154
Schistosoma mansoni	Smad4	0.0009	0.0022	0.0109
Echinococcus granulosus	RUN	0.002	0.0151	0.0529
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.001	0.0035	0.0124
Brugia malayi	intermediate filament protein	0.0058	0.0596	0.2082
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0234	0.0819
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0374	0.0374
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0455	0.0455
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0151	0.0529
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0032	0.0111
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0011	0.0038
Schistosoma mansoni	polycystin 1-related	0.002	0.0151	0.0737
Trichomonas vaginalis	ferritin, putative	0.0009	0.002	0.0539
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0022	0.0022
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0299	0.0299
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0455	0.0455
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0249	0.2814	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0022	0.0078
Schistosoma mansoni	pyruvate kinase	0.0033	0.0299	0.1455
Echinococcus multilocularis	glutathione S transferase	0.0032	0.029	0.029
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0299	0.1044
Echinococcus multilocularis	RUN	0.002	0.0151	0.0151
Echinococcus multilocularis	glutathione S transferase	0.0024	0.0205	0.0205
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0606	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0374	1
Schistosoma mansoni	glutathione-S-transferase	0.0032	0.029	0.1411
Brugia malayi	hypothetical protein	0.001	0.0032	0.0111
Echinococcus granulosus	glutathione S transferase	0.0032	0.029	0.1013
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0299	0.1044
Schistosoma mansoni	apoferritin-2	0.0009	0.002	0.0098
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0374	0.1267
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0374	0.1308
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0455	0.2216
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0003	0.0083
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Echinococcus granulosus	glutathione S transferase Mu 1	0.0032	0.029	0.1013
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0299	0.1379
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0374	0.1267
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0115	0.0115
Plasmodium vivax	glutathione S-transferase, putative	0.0032	0.029	0.7707
Brugia malayi	cytoplasmic intermediate filament protein	0.0031	0.0283	0.0988
Schistosoma mansoni	lamin	0.0058	0.0596	0.2902
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0718	0.3498
Brugia malayi	Doublecortin family protein	0.002	0.0151	0.0529
Onchocerca volvulus		0.002	0.0151	0.0699
Echinococcus granulosus	geminin	0.0184	0.2052	0.7175
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0299	0.1379
Schistosoma mansoni	ferritin light chain	0.0009	0.002	0.0098
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.0718	0.251
Toxoplasma gondii	pyruvate kinase PyKII	0.0017	0.0115	0.1822
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0032	0.0111
Brugia malayi	hypothetical protein	0.001	0.0032	0.0111
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0455	0.2216
Echinococcus granulosus	smad	0.0009	0.0022	0.0078
Echinococcus multilocularis	expressed protein	0.0009	0.002	0.002
Echinococcus granulosus	cpg binding protein	0.0033	0.0303	0.106
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0111
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Echinococcus multilocularis	eukaryotic translation elongation factor 1	0.0007	0.0006	0.0006
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.1405	0.4912
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0151	0.0151
Echinococcus multilocularis	prostaglandin H2 D isomerase	0.0032	0.029	0.029
Echinococcus multilocularis	glutathione S-transferase	0.0032	0.029	0.029
Schistosoma mansoni	dishevelled	0.001	0.0032	0.0154
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0003	0.0083
Schistosoma mansoni	ferritin	0.0009	0.002	0.0098
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0032	0.0111
Echinococcus granulosus	expressed protein	0.0009	0.002	0.0071
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0031	0.0283	0.0988
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0032	0.0111
Loa Loa (eye worm)	pyruvate kinase	0.0007	0.0001	0.0003
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0374	1
Echinococcus multilocularis	glutathione S transferase	0.0032	0.029	0.029
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0374	0.1308
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0299	0.7981
Brugia malayi	DIX domain containing protein	0.001	0.0032	0.0111
Schistosoma mansoni	hypothetical protein	0.002	0.0151	0.0737
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0028	0.0247	0.0863
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0282	0.0988
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Schistosoma mansoni	apoferritin-2	0.0009	0.002	0.0098
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.0687	0.3349
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.0299	0.7865
Echinococcus multilocularis	geminin	0.0184	0.2052	0.2052
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0003	0.0083
Brugia malayi	pyruvate kinase, muscle isozyme	0.0007	0.0001	0.0003
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0022	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0234	0.0819
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0032	0.0111
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0718	0.3498
Schistosoma mansoni	rab6-interacting	0.002	0.0151	0.0737
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0033	0.0115
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0374	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.0821	0.287
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0032	0.0032
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0184	0.2246
Echinococcus multilocularis	lamin dm0	0.0058	0.0596	0.0596
Schistosoma mansoni	pyruvate kinase	0.0017	0.0115	0.056
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0032	0.011
Leishmania major	hypothetical protein, conserved	0.0039	0.0374	1
Schistosoma mansoni	intermediate filament proteins	0.0058	0.0596	0.2902
Plasmodium falciparum	pyruvate kinase	0.0033	0.0299	1
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0374	0.1267
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0033	0.0115
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0374	0.1267
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Echinococcus granulosus	tar DNA binding protein	0.0069	0.0718	0.251
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0007	0.0006	0.015
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0374	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0111
Echinococcus granulosus	pyruvate kinase	0.0017	0.0115	0.0402
Loa Loa (eye worm)	hypothetical protein	0.002	0.0151	0.0529
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0028	0.0247	0.0247
Echinococcus granulosus	glutathione S transferase	0.0007	0.0006	0.002
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.0718	0.251
Echinococcus multilocularis	Smad4	0.0009	0.0022	0.0022
Schistosoma mansoni	lamin	0.0058	0.0596	0.2902
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0115	0.0115
Schistosoma mansoni	loxhd1	0.002	0.0151	0.0737
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0022	0.0109
Echinococcus granulosus	glutathione S transferase	0.0024	0.0205	0.0718
Brugia malayi	Intermediate filament tail domain containing protein	0.0058	0.0596	0.2082
Loa Loa (eye worm)	hypothetical protein	0.002	0.0151	0.0529
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0374	1
Brugia malayi	hypothetical protein	0.0253	0.286	1
Brugia malayi	RNA binding protein	0.0069	0.0718	0.251
Brugia malayi	hypothetical protein	0.002	0.0151	0.0529
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0022	0.0109
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0299	0.7981
Loa Loa (eye worm)	Smad1	0.0009	0.0022	0.0078
Loa Loa (eye worm)	intermediate filament protein	0.0058	0.0596	0.2082
Echinococcus granulosus	survival motor neuron protein 1	0.0253	0.286	1
Brugia malayi	hypothetical protein	0.0078	0.0821	0.287
Schistosoma mansoni	pyruvate kinase	0.0033	0.0299	0.1455
Mycobacterium ulcerans	lipase LipD	0.0039	0.0374	1
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0299	0.795
Schistosoma mansoni	GST class-mu	0.0032	0.029	0.1411
Leishmania major	pyruvate kinase	0.0033	0.0299	0.795
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0374	0.1267
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0011	0.0038
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0299	0.7981
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0003	0.0083
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0374	0.1267
Echinococcus granulosus	pyruvate kinase	0.0017	0.0115	0.0402
Schistosoma mansoni	ferritin	0.0009	0.002	0.0098
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0032	0.0032
Onchocerca volvulus		0.0058	0.0596	0.2751

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 1.5 microM	Growth inhibition of human PC3 cells after 4 days by MTT assay	ChEMBL.	20055416
GI50 (functional)	= 1.7 microM	Growth inhibition of human HL60 cells by hemocytometry	ChEMBL.	20055416
GI50 (functional)	= 2 microM	Growth inhibition of human MCF7 cells after 4 days by MTT assay	ChEMBL.	20055416
GI50 (functional)	= 2.6 microM	Growth inhibition of human T47D cells after 4 days by MTT assay	ChEMBL.	20055416
GI50 (functional)	= 3.7 microM	Growth inhibition of human DU145 cells after 4 days by MTT assay	ChEMBL.	20055416
GI50 (functional)	= 4.5 microM	Growth inhibition of human MDA-MB-231 cells after 4 days by MTT assay	ChEMBL.	20055416
IC50 (binding)	= 3.6 microM	Inhibition of GST P1-1 in human HL60 cell lysate	ChEMBL.	20055416

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: CHEMBL571257

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1067396