TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.5 | Formula: C27H25F4N3O2
H donors: 2 H acceptors: 3 LogP: 4.18 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(F)(F)F.Fc1ccc2c(c1)nc([nH]2)c1ccc(cc1)c1cccc(c1)CN1CCCCC1
InChi: 1S/C25H24FN3.C2HF3O2/c26-22-11-12-23-24(16-22)28-25(27-23)20-9-7-19(8-10-20)21-6-4-5-18(15-21)17-29-13-2-1-3-14-29;3-2(4,5)1(6)7/h4-12,15-16H,1-3,13-14,17H2,(H,27,28);(H,6,7)
InChiKey: OCYHOKMRTRTHBZ-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
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0346	0.1532
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0612	0.0713
Trichomonas vaginalis	glucosylceramidase, putative	0.037	0.2619	0.6816
Trichomonas vaginalis	alpha-glucosidase, putative	0.0161	0.1068	0.278
Trypanosoma cruzi	hypothetical protein, conserved	0.0321	0.2257	1
Loa Loa (eye worm)	apoptosis regulator protein	0.0082	0.0486	0.0498
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0082	0.0486	0.0486
Trichomonas vaginalis	alpha-glucosidase, putative	0.0161	0.1068	0.278
Trichomonas vaginalis	glucosylceramidase, putative	0.0351	0.2479	0.6451
Echinococcus multilocularis	pyruvate kinase	0.0026	0.007	0.007
Trichomonas vaginalis	glucosylceramidase, putative	0.0351	0.2479	0.6451
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0161	0.1068	0.278
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0235	0.1615	0.1657
Echinococcus granulosus	survival motor neuron protein 1	0.0235	0.1615	0.1615
Toxoplasma gondii	pyruvate kinase PyKII	0.0017	0.0003	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0051	0.0053
Echinococcus granulosus	microtubule associated protein 2	0.0685	0.4948	0.4948
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0003
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0082	0.0486	0.0498
Trichomonas vaginalis	alpha-glucosidase, putative	0.0161	0.1068	0.278
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0187	0.0192
Brugia malayi	Glycosyl hydrolases family 31 protein	0.1332	0.9746	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.1406	0.1443
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0051	0.0053
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0346	0.1532
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0161	0.1068	0.278
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0096	0.0096
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0051	0.0044
Brugia malayi	Pre-SET motif family protein	0.003	0.0096	0.0099
Schistosoma mansoni	pyruvate kinase	0.0033	0.0122	0.0142
Schistosoma mansoni	alpha glucosidase	0.0321	0.2257	0.2632
Entamoeba histolytica	hypothetical protein	0.0036	0.0141	0.0626
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0187	0.0488
Leishmania major	pyruvate kinase	0.0033	0.0122	0.0541
Onchocerca volvulus		0.0962	0.7004	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0122	0.0125
Schistosoma mansoni	hypothetical protein	0.004	0.0176	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0486	0.0498
Trichomonas vaginalis	alpha-glucosidase, putative	0.0161	0.1068	0.278
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0048	0.0049
Trichomonas vaginalis	glucosylceramidase, putative	0.0351	0.2479	0.6451
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0122	0.0125
Trichomonas vaginalis	glucosylceramidase, putative	0.0535	0.3843	1
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0161	0.1068	0.4732
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0051	0.0044
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0321	0.2257	0.5875
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0122	0.0122
Echinococcus granulosus	lysosomal alpha glucosidase	0.1332	0.9746	0.9746
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0122	0.0541
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0122	0.0125
Trichomonas vaginalis	glucosylceramidase, putative	0.0351	0.2479	0.6451
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0231	0.027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0122	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0098	0.06	0.0616
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Trichomonas vaginalis	alpha-glucosidase, putative	0.0161	0.1068	0.278
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0096	0.0112
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0804	0.5836	0.5836
Trypanosoma brucei	glucosidase, putative	0.0321	0.2257	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0321	0.2257	0.5875
Loa Loa (eye worm)	hypothetical protein	0.0049	0.024	0.0247
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0051	0.0053
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0096	0.0096
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0003
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0122	0.0318
Brugia malayi	Pre-SET motif family protein	0.0206	0.1406	0.1443
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.06	0.06
Plasmodium vivax	pyruvate kinase 2, putative	0.0017	0.0003	0.0227
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0051	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0048	0.0049
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0051	0.0227
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0051	0.0227
Onchocerca volvulus	Glucosylceramidase homolog	0.0351	0.2479	0.354
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0007	0.0007
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0096	0.0112
Schistosoma mansoni	hypothetical protein	0.004	0.0176	0.0205
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0141	0.0165
Onchocerca volvulus		0.0024	0.0051	0.0073
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0321	0.2257	0.2257
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0096	0.0096
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0515	0.3694	0.9613
Trichomonas vaginalis	glucosylceramidase, putative	0.0535	0.3843	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0096	0.0112
Giardia lamblia	Pyruvate kinase	0.0033	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1068	0.1096
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0161	0.1068	0.1096
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	0.1615	0.1615
Schistosoma mansoni	hypothetical protein	0.0036	0.0141	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0257	0.0264
Trichomonas vaginalis	beta-glucosidase, putative	0.014	0.0911	0.237
Onchocerca volvulus		0.0048	0.0231	0.033
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Echinococcus multilocularis	protein patched	0.0042	0.0187	0.0187
Trichomonas vaginalis	alpha-glucosidase, putative	0.0321	0.2257	0.5875
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0122	0.0122
Echinococcus multilocularis	expressed conserved protein	0.0092	0.0557	0.0557
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0122	0.0125
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0096	0.0427
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0082	0.0486	0.0486
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0321	0.2257	0.2316
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0007	0.0007
Trichomonas vaginalis	glucosylceramidase, putative	0.0535	0.3843	1
Brugia malayi	Alpha-L-fucosidase family protein	0.1174	0.8578	0.8801
Leishmania major	pyruvate kinase	0.0033	0.0122	0.0541
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.1332	0.9746	1
Schistosoma mansoni	hypothetical protein	0.004	0.0176	0.0205
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0321	0.2257	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0051	0.0053
Trichomonas vaginalis	glucosylceramidase, putative	0.037	0.2619	0.6816
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.06	0.0616
Trichomonas vaginalis	glucosylceramidase, putative	0.0351	0.2479	0.6451
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0161	0.1068	0.4431
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0187	0.0187
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0051	0.4191
Trichomonas vaginalis	glucosylceramidase, putative	0.0351	0.2479	0.6451
Mycobacterium ulcerans	alpha-L-fucosidase	0.1366	1	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0122	0.0174
Schistosoma mansoni	hypothetical protein	0.004	0.0176	0.0205
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0007	0.0584
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0003
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0051	0.0044
Echinococcus multilocularis	tumor protein p63	0.0335	0.236	0.236
Schistosoma mansoni	hypothetical protein	0.0082	0.0486	0.0566
Brugia malayi	hypothetical protein	0.0036	0.0141	0.0145
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0003
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0051	0.0227
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0007	0.0007
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0007	0.0584
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0321	0.2257	0.5875
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Schistosoma mansoni	hypothetical protein	0.0048	0.0231	0.027
Leishmania major	cathepsin L-like protease	0.0063	0.0346	0.1532
Trichomonas vaginalis	alpha-glucosidase, putative	0.0321	0.2257	0.5875
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0051	0.0044
Schistosoma mansoni	patched 1	0.0042	0.0187	0.0219
Plasmodium vivax	SET domain protein, putative	0.003	0.0096	0.7889
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0051	0.0044
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.0245	0.1087
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0051	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0187	0.0192
Echinococcus multilocularis	microtubule associated protein 2	0.0685	0.4948	0.4948
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0161	0.1068	0.4732
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0096	0.0112
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0321	0.2257	0.5875
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0161	0.1068	0.1525
Schistosoma mansoni	hypothetical protein	0.0082	0.0486	0.0566
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0321	0.2257	0.2316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0515	0.3694	0.9613
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0535	0.3843	0.3943
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0321	0.2257	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.06	0.06
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0051	0.0227
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0051	0.0044
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0088	0.0088
Echinococcus granulosus	tumor protein p63	0.0335	0.236	0.236
Echinococcus granulosus	pyruvate kinase	0.0033	0.0122	0.0122
Leishmania major	glycosyl hydrolase-like protein	0.0161	0.1068	0.4732
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0535	0.3843	0.3943
Echinococcus multilocularis	lysosomal alpha glucosidase	0.1332	0.9746	0.9746
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0082	0.0486	0.0486
Trichomonas vaginalis	alpha-glucosidase, putative	0.0321	0.2257	0.5875
Trichomonas vaginalis	alpha-glucosidase, putative	0.0321	0.2257	0.5875
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Echinococcus multilocularis	lysosomal alpha glucosidase	0.1332	0.9746	0.9746
Loa Loa (eye worm)	hypothetical protein	0.003	0.0096	0.0099
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0082	0.0486	0.0566
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0122	0.0125
Trichomonas vaginalis	glycoside hydrolases, putative	0.014	0.0911	0.237
Schistosoma mansoni	pyruvate kinase	0.0033	0.0122	0.0142
Trichomonas vaginalis	glucosylceramidase, putative	0.0535	0.3843	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.014	0.0911	0.0911
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0141	0.0141
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0187	0.0187
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.1366	1	1
Leishmania major	alpha glucosidase II subunit, putative	0.0321	0.2257	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0051	0.0053
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0122	0.0115
Leishmania major	cathepsin L-like protease	0.0063	0.0346	0.1532
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.1618	0.421
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0231	0.0237
Brugia malayi	CHE-14 protein	0.0042	0.0187	0.0192
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0141	0.0141
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0048	0.0212
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Onchocerca volvulus		0.0049	0.024	0.0343
Echinococcus granulosus	neutral alpha glucosidase AB	0.0321	0.2257	0.2257
Entamoeba histolytica	hypothetical protein	0.0036	0.0141	0.0626
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0007	0.0007
Leishmania major	cathepsin L-like protease	0.0063	0.0346	0.1532
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0051	0.0053
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.024	0.028
Trichomonas vaginalis	alpha-glucosidase, putative	0.0321	0.2257	0.5875
Schistosoma mansoni	pyruvate kinase	0.0017	0.0003	0.0003
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0161	0.1068	0.278
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0122	0.0541
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0346	0.1532
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.0122	1
Schistosoma mansoni	microtubule-associated protein tau	0.0685	0.4948	0.5769
Trichomonas vaginalis	glucosylceramidase, putative	0.0535	0.3843	1
Onchocerca volvulus		0.003	0.0096	0.0138
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0003
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0051	0.0044
Schistosoma mansoni	hypothetical protein	0.0082	0.0486	0.0566
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0007	0.0582
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0122	1
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0231	0.0231
Plasmodium falciparum	pyruvate kinase 2	0.0017	0.0003	0.0227
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.0305	0.1351
Loa Loa (eye worm)	alpha-L-fucosidase	0.1174	0.8578	0.8801
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0122	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0346	0.1532
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0122	0.0174
Plasmodium falciparum	pyruvate kinase	0.0033	0.0122	1
Echinococcus granulosus	Niemann Pick C1 protein	0.014	0.0911	0.0911
Schistosoma mansoni	apoptosis regulator bax	0.0082	0.0486	0.0566
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0161	0.1068	0.4732
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.06	0.266
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0122	0.0318
Echinococcus granulosus	pyruvate kinase	0.0033	0.0122	0.0122
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0051	0.4191
Schistosoma mansoni	alpha-glucosidase	0.1172	0.8557	0.9976
Onchocerca volvulus		0.0235	0.1618	0.231
Entamoeba histolytica	hypothetical protein	0.0036	0.0141	0.0626
Trypanosoma cruzi	hypothetical protein, conserved	0.0321	0.2257	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0321	0.2257	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0351	0.2479	0.6451
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0051	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0122	0.0125
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0082	0.0486	0.0486
Schistosoma mansoni	alpha-glucosidase	0.1172	0.8557	0.9976
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0346	0.1047
Entamoeba histolytica	hypothetical protein	0.0036	0.0141	0.0626
Echinococcus granulosus	expressed conserved protein	0.0092	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0007	0.0007
Trichomonas vaginalis	glucosylceramidase, putative	0.0535	0.3843	1
Schistosoma mansoni	alpha-l-fucosidase	0.1174	0.8578	1
Brugia malayi	hypothetical protein	0.0235	0.1615	0.1657
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0003
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0122	0.0174

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)	= 1.59 %	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)	= 1.72 %	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)	= 1.72 %	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)	= 10 %	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 Dd2 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 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)	= 2.86	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -6 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 10 %	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
Percent growth inhibition (functional)	= 101 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.57	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.26732 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.

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External resources for this compound

ChEMBL: CHEMBL531288
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 593268