TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 607.432 | Formula: C26H31BrF4N2O5
H donors: 2 H acceptors: 3 LogP: 4.18 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.COc1ccc(cc1OCCN(C(C)C)C(C)C)NC(=O)/C=C/c1cc(Br)ccc1F
InChi: 1S/C24H30BrFN2O3.C2HF3O2/c1-16(2)28(17(3)4)12-13-31-23-15-20(8-10-22(23)30-5)27-24(29)11-6-18-14-19(25)7-9-21(18)26;3-2(4,5)1(6)7/h6-11,14-17H,12-13H2,1-5H3,(H,27,29);(H,6,7)/b11-6+;
InChiKey: NVIPGMXQWLCIDZ-ICSBZGNSSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	lipoxygenase	0.0097	0.2898	0.4777
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.019	0.0377
Plasmodium vivax	multidomain scavenger receptor, putative	0.0023	0.0328	0.4431
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0301	1	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0065	0.0877
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.019	0.0313
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.019	0.019
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0432	0.0651
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.6067	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0219	0.0362
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0219	0.0362
Echinococcus granulosus	intermediate filament protein	0.0026	0.0432	0.0712
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Echinococcus multilocularis	RUN	0.0023	0.0328	0.0541
Echinococcus multilocularis	dna polymerase eta	0.0019	0.019	0.0313
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0219	0.0362
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0994	0.0994
Loa Loa (eye worm)	hypothetical protein	0.002	0.0219	0.0331
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.448	0.448
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0065	0.0158
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0065	0.0065
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.6067	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0009	0.0013
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0219	0.0362
Onchocerca volvulus		0.0023	0.0328	0.0431
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.444	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0541	0.0892
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0219	0.0362
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.019	0.0313
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0219	0.0362
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0219	0.0331
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.1316	0.1316
Onchocerca volvulus	Bile acid receptor homolog	0.002	0.0219	0.0288
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0219	0.0331
Leishmania major	DNA polymerase kappa, putative	0.0019	0.019	0.019
Brugia malayi	TAR-binding protein	0.0188	0.6067	0.9144
Onchocerca volvulus		0.0029	0.0541	0.071
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0065	0.0065
Schistosoma mansoni	loxhd1	0.0023	0.0328	0.0541
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0994	0.0994
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0219	0.0362
Mycobacterium ulcerans	hypothetical protein	0.0047	0.1154	0.2289
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.019	0.019
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.1154	0.1203
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.019	0.0313
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.1154	0.2289
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0219	0.0362
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0009	0.0013
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0328	0.0541
Brugia malayi	Pre-SET motif family protein	0.0205	0.6635	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0219	0.0331
Onchocerca volvulus		0.0047	0.1154	0.1514
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0065	0.0098
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Echinococcus granulosus	microsomal glutathione S transferase 3	0.0132	0.4105	0.6766
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.1154	0.2289
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1154	0.1739
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0741	0.5
Mycobacterium ulcerans	hypothetical protein	0.0159	0.504	1
Echinococcus granulosus	lamin dm0	0.0026	0.0432	0.0712
Loa Loa (eye worm)	hypothetical protein	0.002	0.0219	0.0331
Echinococcus multilocularis	lamin dm0	0.0026	0.0432	0.0712
Brugia malayi	MH2 domain containing protein	0.0117	0.3601	0.5428
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.9592	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.019	0.0313
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.019	0.019
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.019	0.0377
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0219	0.0362
Brugia malayi	nuclear receptor NHR-88	0.002	0.0219	0.0331
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.1154	0.2289
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0495
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.1154	0.2289
Loa Loa (eye worm)	hypothetical protein	0.015	0.4728	0.7126
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0219	0.0331
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.019	0.0313
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0065	0.0065
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.019	0.0198
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0219	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0019	0.019	0.0287
Echinococcus granulosus	RUN	0.0023	0.0328	0.0541
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.9592	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0219	0.0362
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0432	0.0651
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0143	0.448	0.448
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.444	0.881
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0065	0.0158
Brugia malayi	hypothetical protein	0.0023	0.0328	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0741	0.1116
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0159	0.504	1
Onchocerca volvulus		0.0233	0.7618	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0.0219	0.0288
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0065	0.0129
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.3601	0.5428
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1154	0.1739
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0219	0.0362
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0065	0.0107
Leishmania major	DNA polymerase eta, putative	0.0019	0.019	0.019
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0541	0.0892
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.1154	0.1203
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.019	0.019
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0741	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.029	0.9592	1
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0219	0.0331
Brugia malayi	RNA recognition motif domain containing protein	0.0188	0.6067	0.9144
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.6067	1
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0219	0.0362
Brugia malayi	RNA binding protein	0.0188	0.6067	0.9144
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.1154	0.1154
Brugia malayi	ecdysteroid receptor	0.002	0.0219	0.0331
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.1154	0.2289
Plasmodium falciparum	LCCL domain-containing protein	0.0023	0.0328	0.4431
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.9592	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0219	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1154	0.1739
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.019	0.0287
Schistosoma mansoni	lipoxygenase	0.0139	0.4352	0.7174
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0065	0.0065
Toxoplasma gondii	hypothetical protein	0.0049	0.1211	0.295
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.019	0.0313
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0065	0.0107
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0219	0.0331
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0674	0.1337
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.1154	0.2598
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0674	0.1337
Loa Loa (eye worm)	hypothetical protein	0.002	0.0219	0.0331
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0065	0.0107
Loa Loa (eye worm)	hypothetical protein	0.002	0.0219	0.0331
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0541	0.0892
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.019	0.0198
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.1154	0.2289
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.1154	0.2289
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0328	0.0541
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.019	0.0287
Loa Loa (eye worm)	TAR-binding protein	0.0188	0.6067	0.9144
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0065	0.0107
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0741	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0328	0.0541
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0219	0.0362
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.9592	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0219	0.0362
Schistosoma mansoni	DNA polymerase eta	0.0019	0.019	0.0313
Schistosoma mansoni	rab6-interacting	0.0023	0.0328	0.0541
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.0132	0.4105	0.6766
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0503	0.083
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.019	0.019
Schistosoma mansoni	lamin	0.0026	0.0432	0.0712
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0301	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0219	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0741	0.1116
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0432	0.0712
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0219	0.0331
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0674	0.1337
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0541	0.0892
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.1154	0.1203
Onchocerca volvulus		0.0026	0.0432	0.0567
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.1154	0.2598
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0741	0.1116
Trypanosoma brucei	unspecified product	0.0019	0.019	0.019
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.9592	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.9592	1
Echinococcus granulosus	tar DNA binding protein	0.0188	0.6067	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0219	0.0362
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.9592	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0219	0.0362
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0219	0.0331
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0219	0.0362
Schistosoma mansoni	hypothetical protein	0.0023	0.0328	0.0541
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0674	0.1337
Echinococcus granulosus	Polycystic kidney disease protein	0.0023	0.0328	0.0541
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0219	0.0362
Brugia malayi	steroid hormone receptor	0.002	0.0219	0.0331
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0219	0.0331
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0328	0.0541
Onchocerca volvulus		0.002	0.0219	0.0288
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0065	0.0877
Loa Loa (eye worm)	RNA binding protein	0.0188	0.6067	0.9144
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0741	0.147
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0541	0.0815
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0301	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0432	0.0651
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0541	0.1318
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.019	0.019
Schistosoma mansoni	rab6-interacting	0.0023	0.0328	0.0541
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0065	0.0107
Loa Loa (eye worm)	hypothetical protein	0.002	0.0219	0.0331
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.1154	0.1739
Trichomonas vaginalis	set domain proteins, putative	0.0233	0.7618	0.7942
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0219	0.0362
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.1154	0.2289
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0219	0.0362
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0219	0.0331
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0219	0.0362
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.019	0.019
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.9592	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0219	0.0331
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0219	0.0331
Echinococcus multilocularis	lamin	0.0026	0.0432	0.0712
Brugia malayi	Pre-SET motif family protein	0.0029	0.0541	0.0815
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0065	0.0098
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0139	0.4352	0.7174
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.019	0.0377
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0994	0.0994
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.019	0.0377
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0219	0.0362
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0219	0.0331
Echinococcus granulosus	lamin	0.0026	0.0432	0.0712
Loa Loa (eye worm)	hypothetical protein	0.002	0.0219	0.0331
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.029	0.9592	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0065	0.0065
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0219	0.0362
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0188	0.6067	0.9144
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0219	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0741	0.1116
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.019	0.0287
Echinococcus granulosus	dna polymerase kappa	0.0019	0.019	0.0313
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0219	0.0331
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0219	0.0331
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0741	0.147
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0219	0.0362
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0219	0.0331
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0219	0.0331
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0219	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0741	0.1116
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0139	0.4352	0.7174
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0219	0.0331
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0.0219	0.0288
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0541	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0495
Plasmodium vivax	SET domain protein, putative	0.0029	0.0541	0.7302
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.019	0.0198
Onchocerca volvulus		0.0023	0.0328	0.0431
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0219	0.0331
Onchocerca volvulus		0.0026	0.0432	0.0567
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0219	0.0362
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.1154	0.2289
Schistosoma mansoni	polycystin 1-related	0.0023	0.0328	0.0541
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.6635	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0541	0.0892
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Echinococcus multilocularis	tar DNA binding protein	0.0188	0.6067	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.019	0.019
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.448	0.448
Echinococcus multilocularis	musashi	0.0026	0.0432	0.0712
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.0132	0.4105	0.6766
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.6067	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0219	0.0331
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.1154	0.1154
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0432	0.0651
Schistosoma mansoni	lamin	0.0026	0.0432	0.0712
Onchocerca volvulus		0.015	0.4728	0.6206
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0219	0.0331
Schistosoma mansoni	coup transcription factor	0.002	0.0219	0.0362
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.019	0.019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0219	0.0331
Brugia malayi	nuclear hormone receptor	0.002	0.0219	0.0331
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.1154	0.1154
Treponema pallidum	fructose-bisphosphate aldolase	0.029	0.9592	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.1154	0.1739
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0065	0.0107
Loa Loa (eye worm)	hypothetical protein	0.002	0.0219	0.0331
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0219	0.0362
Toxoplasma gondii	MAPEG family protein	0.0132	0.4105	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.1154	0.1739
Echinococcus multilocularis	Polycystic kidney disease protein	0.0023	0.0328	0.0541
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.029	0.9592	1
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0219	0.0362
Brugia malayi	Doublecortin family protein	0.0023	0.0328	0.0495
Brugia malayi	hypothetical protein	0.015	0.4728	0.7126
Loa Loa (eye worm)	doublecortin family protein	0.0023	0.0328	0.0495
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.3601	0.5428
Schistosoma mansoni	tar DNA-binding protein	0.0188	0.6067	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0415	0.0626
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0541	0.0892
Brugia malayi	intermediate filament protein	0.0026	0.0432	0.0651
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0994	0.0994
Schistosoma mansoni	microsomal glutathione s-transferase	0.0132	0.4105	0.6766
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.444	0.881
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0065	0.0098
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.019	0.019
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.019	0.019
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0219	0.0362
Brugia malayi	hypothetical protein	0.0023	0.0328	0.0495
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0065	0.0107

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0.14 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0.38 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0.52 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 14 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 22 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 100 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 2.34	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -3 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 14 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 22 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 100 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.12	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.75671 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL588269
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 603127