TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 554.416 | Formula: C25H17F7N4O3
H donors: 4 H acceptors: 4 LogP: 5.83 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(cc1)c1ccc2c(c1)c(N)ncc2
InChi: 1S/C23H16F4N4O.C2HF3O2/c24-19-8-5-16(23(25,26)27)12-20(19)31-22(32)30-17-6-3-13(4-7-17)15-2-1-14-9-10-29-21(28)18(14)11-15;3-2(4,5)1(6)7/h1-12H,(H2,28,29)(H2,30,31,32);(H,6,7)
InChiKey: IGYKBBGFOGGEHZ-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

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0084	0.0986
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0083	0.0193	0.0384
Echinococcus multilocularis	sodium calcium exchanger	0.1777	0.501	0.501
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0067	0.0133
Echinococcus multilocularis	tumor protein p63	0.0328	0.0891	0.0891
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.0084	0.5289
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0026	0.1649
Schistosoma mansoni	intermediate filament proteins	0.0083	0.0193	0.0193
Brugia malayi	beta-lactamase family protein	0.0071	0.0158	0.08
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.0084	0.5289
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0084	0.0084
Mycobacterium tuberculosis	Probable hydrolase	0.0071	0.0158	0.1235
Mycobacterium tuberculosis	Conserved protein	0.0071	0.0158	0.1235
Mycobacterium tuberculosis	Conserved protein	0.0071	0.0158	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0158	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0188	0.0376
Echinococcus granulosus	geminin	0.0165	0.0427	0.0427
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0051	0.0606
Echinococcus granulosus	muscleblind protein	0.0145	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0051	0.0606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0084	0.0986
Schistosoma mansoni	tar DNA-binding protein	0.013	0.0326	0.0326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0033	0.0389
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0026	0.1132
Giardia lamblia	GTOR	0.0044	0.0084	0.5
Echinococcus multilocularis	tar DNA binding protein	0.013	0.0326	0.0326
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0026	0.0132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0058	0.0682
Schistosoma mansoni	microtubule-associated protein tau	0.3532	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.0084	0.0084
Loa Loa (eye worm)	RNA binding protein	0.013	0.0326	0.0651
Mycobacterium tuberculosis	Probable ionic transporter integral membrane protein ChaA	0.0045	0.0085	0.0643
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0026	0.1156
Schistosoma mansoni	ferritin	0.0018	0.0009	0.0009
Entamoeba histolytica	sodium/calcium exchanger protein, putative	0.0045	0.0085	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0065	0.0769
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.0084	0.5289
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0057	0.0057
Plasmodium vivax	SET domain protein, putative	0.003	0.0044	0.2341
Loa Loa (eye worm)	intermediate filament protein	0.0083	0.0193	0.0384
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0158	0.1864
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0032	0.038
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0018	0.0009	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0032	0.038
Schistosoma mansoni	potassium-dependent sodium-calcium exchanger 3 4	0.0045	0.0085	0.0085
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.0158	1
Schistosoma mansoni	sodium/calcium exchanger	0.1777	0.501	0.501
Trichomonas vaginalis	set domain proteins, putative	0.024	0.064	0.7543
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0158	0.0316
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0026	0.1649
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0071	0.0158	0.08
Echinococcus multilocularis	expressed protein	0.0018	0.0009	0.0009
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0026	0.0132
Onchocerca volvulus		0.0071	0.0158	0.2151
Echinococcus granulosus	beta LACTamase domain containing family member	0.0071	0.0158	0.0158
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0057	0.0057
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.013	0.0326	0.0651
Echinococcus granulosus	expressed protein	0.0018	0.0009	0.0009
Brugia malayi	beta-lactamase	0.0071	0.0158	0.08
Schistosoma mansoni	ferritin light chain	0.0018	0.0009	0.0009
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.0158	0.1864
Brugia malayi	TAR-binding protein	0.013	0.0326	0.1648
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0026	0.1132
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0018	0.0009	0.0026
Echinococcus multilocularis	ferritin	0.0018	0.0009	0.0009
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0071	0.0158	0.1235
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0033	0.0389
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0044	0.0044
Onchocerca volvulus		0.024	0.064	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0289	0.0577
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0084	0.0084
Onchocerca volvulus		0.0048	0.0094	0.1111
Trichomonas vaginalis	esterase, putative	0.0071	0.0158	0.1864
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0067	0.0133
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0084	0.0426
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0085	0.1005
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0026	0.1156
Brugia malayi	Intermediate filament tail domain containing protein	0.0083	0.0193	0.0973
Trypanosoma cruzi	target of rapamycin kinase 3	0.0035	0.0058	0.3667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0084	0.0986
Schistosoma mansoni	tar DNA-binding protein	0.013	0.0326	0.0326
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0071	0.0158	0.1235
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.004	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0009	0.0018
Loa Loa (eye worm)	hypothetical protein	0.004	0.0071	0.0142
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.0084	0.0084
Trichomonas vaginalis	ferritin, putative	0.0018	0.0009	0.0109
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.0158	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0071	0.0158	0.1235
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.0158	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0044	0.0084	0.0422
Treponema pallidum	hypothetical protein	0.0045	0.0085	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0009	0.0018
Schistosoma mansoni	ferritin	0.0018	0.0009	0.0009
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0035	0.0058	0.3667
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0026	0.0052
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0017	0.1095
Brugia malayi	Pre-SET motif family protein	0.0211	0.0558	0.2817
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0044	0.0044
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0044	0.0084	0.9727
Entamoeba histolytica	hypothetical protein	0.0035	0.0057	0.5269
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0026	0.1156
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0018	0.001	0.0637
Toxoplasma gondii	manganese resistance 1 protein, putative	0.0045	0.0085	0.3627
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0026	0.1156
Mycobacterium leprae	conserved hypothetical protein	0.0071	0.0158	1
Echinococcus multilocularis	muscleblind protein	0.0145	0.0371	0.0371
Mycobacterium ulcerans	bacterioferritin BfrA	0.0018	0.0009	0.0027
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0313	0.0849	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0058	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0009	0.0018
Schistosoma mansoni	tar DNA-binding protein	0.013	0.0326	0.0326
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0044	0.0044
Onchocerca volvulus		0.0083	0.0193	0.271
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.0084	0.5289
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0044	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0058	0.0682
Schistosoma mansoni	hypothetical protein	0.0035	0.0057	0.0057
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0044	0.0044
Mycobacterium ulcerans	bacterioferritin BfrB	0.0018	0.0009	0.0027
Schistosoma mansoni	tar DNA-binding protein	0.013	0.0326	0.0326
Brugia malayi	hypothetical protein	0.0035	0.0057	0.029
Echinococcus granulosus	intermediate filament protein	0.0083	0.0193	0.0193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0033	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0026	0.0302
Echinococcus multilocularis	sodium:potassium:calcium exchanger 6	0.0045	0.0085	0.0085
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0289	0.0577
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0009	0.5
Onchocerca volvulus		0.0071	0.0158	0.2151
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0026	0.1156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0051	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0193	0.0384
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0026	0.0302
Schistosoma mansoni	ferritin	0.0018	0.0009	0.0009
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0094	0.0094
Echinococcus granulosus	lamin dm0	0.0083	0.0193	0.0193
Schistosoma mansoni	na/ca exchanger	0.0045	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0085	0.017
Schistosoma mansoni	ferritin	0.0018	0.0009	0.0009
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.0084	0.5289
Echinococcus multilocularis	sodium:potassium:calcium exchanger	0.0045	0.0085	0.0085
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0026	0.1156
Schistosoma mansoni	ferritin light chain	0.0018	0.0009	0.0009
Echinococcus granulosus	lamin	0.0083	0.0193	0.0193
Echinococcus granulosus	sodium:potassium:calcium exchanger 6	0.0045	0.0085	0.0085
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0084	0.0423
Brugia malayi	K+-dependent Na+/Ca+ exchanger related-protein	0.0045	0.0085	0.0431
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0084	0.0168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0026	0.0303
Schistosoma mansoni	apoferritin-2	0.0018	0.0009	0.0009
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0084	0.0084
Echinococcus multilocularis	lamin dm0	0.0083	0.0193	0.0193
Echinococcus multilocularis	microtubule associated protein 2	0.3532	1	1
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0371	0.074
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0071	0.0158	0.0316
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0044	0.0084	0.9727
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0051	0.0667
Echinococcus multilocularis	musashi	0.0083	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.003	0.0044	0.0087
Mycobacterium ulcerans	beta-lactamase	0.0071	0.0158	1
Loa Loa (eye worm)	solute carrier family 8	0.1777	0.501	1
Brugia malayi	MH2 domain containing protein	0.0117	0.0289	0.1461
Echinococcus multilocularis	geminin	0.0165	0.0427	0.0427
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0051	0.0606
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0071	0.0158	0.0158
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0035	0.0058	0.3667
Brugia malayi	RNA binding protein	0.013	0.0326	0.1648
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0084	0.0084
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0084	0.0167
Echinococcus granulosus	sodium:potassium:calcium exchanger	0.0045	0.0085	0.0085
Entamoeba histolytica	hypothetical protein	0.0035	0.0057	0.5269
Onchocerca volvulus		0.003	0.0044	0.0288
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0051	0.0606
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0044	0.0084	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0009	0.0018
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0041	0.0041
Schistosoma mansoni	hypothetical protein	0.0045	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0042	0.0497
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0026	0.1156
Brugia malayi	beta-lactamase family protein	0.0071	0.0158	0.08
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0026	0.1649
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0026	0.0132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.004	0.0465
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0158	0.1864
Mycobacterium ulcerans	lipase LipD	0.0071	0.0158	1
Loa Loa (eye worm)	TAR-binding protein	0.013	0.0326	0.0651
Echinococcus granulosus	tar DNA binding protein	0.013	0.0326	0.0326
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0313	0.0849	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0051	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0085	0.017
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0158	0.0316
Schistosoma mansoni	tar DNA-binding protein	0.013	0.0326	0.0326
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0071	0.0158	0.1235
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0044	0.0044
Schistosoma mansoni	lamin	0.0083	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0158	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0085	0.017
Toxoplasma gondii	ABC1 family protein	0.0071	0.0158	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0044	0.0044
Mycobacterium ulcerans	hypothetical protein	0.0071	0.0158	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0057	0.5269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0051	0.0606
Schistosoma mansoni	lamin	0.0083	0.0193	0.0193
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0071	0.0158	1
Loa Loa (eye worm)	hypothetical protein	0.0711	0.1979	0.395
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0058	0.0682
Schistosoma mansoni	hypothetical protein	0.0165	0.0427	0.0427
Onchocerca volvulus		0.0071	0.0158	0.2151
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0026	0.0163
Brugia malayi	RNA recognition motif domain containing protein	0.013	0.0326	0.1648
Mycobacterium tuberculosis	Probable esterase LipL	0.0071	0.0158	0.1235
Mycobacterium ulcerans	esterase/lipase LipP	0.0071	0.0158	1
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0085	0.1005
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0084	0.5289
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0057	0.0057
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0084	0.0084
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0451	0.1239	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0026	0.0052
Plasmodium vivax	cation/H+ antiporter, putative	0.0045	0.0085	0.5119
Leishmania major	hypothetical protein, conserved	0.0071	0.0158	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0026	0.0303
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.0371	0.0371
Loa Loa (eye worm)	beta-lactamase	0.0071	0.0158	0.0316
Onchocerca volvulus	Sodium\/potassium\/calcium exchanger	0.0045	0.0085	0.0964
Echinococcus multilocularis	lamin	0.0083	0.0193	0.0193
Echinococcus granulosus	ferritin	0.0018	0.0009	0.0009
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.0158	0.1864
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0026	0.1156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0058	0.0682
Brugia malayi	Sodium/calcium exchanger protein	0.0711	0.1979	1
Loa Loa (eye worm)	Na/Ca eXchangers family member	0.0045	0.0085	0.017
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.0084	0.0084
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.0158	0.0158
Mycobacterium tuberculosis	Conserved protein	0.0071	0.0158	0.1235
Brugia malayi	intermediate filament protein	0.0083	0.0193	0.0973
Echinococcus granulosus	tumor protein p63	0.0328	0.0891	0.0891
Plasmodium falciparum	cation/H+ antiporter	0.0045	0.0085	1
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0018	0.0009	0.0026
Mycobacterium tuberculosis	Probable lipase LipE	0.0071	0.0158	0.1235
Schistosoma mansoni	hypothetical protein	0.0165	0.0427	0.0427
Mycobacterium leprae	Probable lipase LipE	0.0071	0.0158	1
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0371	0.074
Brugia malayi	Muscleblind-like protein	0.0145	0.0371	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0158	0.0316
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0158	0.1864
Onchocerca volvulus		0.0083	0.0193	0.271
Brugia malayi	Pre-SET motif family protein	0.003	0.0044	0.0221
Mycobacterium leprae	Probable ionic transporter integral membrane protein ChaA	0.0045	0.0085	0.5105
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0211	0.0558	0.1113
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0026	0.0163
Brugia malayi	Na/Ca eXchangers family member (ncx-4)	0.0045	0.0085	0.0431
Schistosoma mansoni	potassium-dependent sodium-calcium exchanger 3 4	0.0045	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0026	0.0303
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0026	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0026	0.0052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0084	0.0084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0026	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0094	0.0188
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.0158	0.0158
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0085	0.1005
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0009	0.0018
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0009	0.0023
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.004	0.0071	0.0071
Entamoeba histolytica	hypothetical protein	0.0035	0.0057	0.5269
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.0158	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0158	0.0316
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0084	0.0084
Echinococcus granulosus	sodium calcium exchanger	0.1777	0.501	0.501
Schistosoma mansoni	apoferritin-2	0.0018	0.0009	0.0009

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -0.4 %	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 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0.91 %	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)	= 4.94 %	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)	= 99 %	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 (functional)	= 100 %	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 frequency index (IFI) (functional)	= 20.22	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)	= 99 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 100 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 101 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 7.06	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.08632 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: CHEMBL534761
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 603728