TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 461.35 | Formula: C19H22F2NO8P
H donors: 3 H acceptors: 4 LogP: 2.4 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@@H](C([C@@H]1O)(F)F)OP(=O)(Oc1cccc2c1cccc2)N[C@H](C(=O)OC)C
InChi: 1S/C19H22F2NO8P/c1-11(17(25)27-2)22-31(26,30-18-19(20,21)16(24)15(10-23)28-18)29-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-16,18,23-24H,10H2,1-2H3,(H,22,26)/t11-,15+,16+,18+,31?/m0/s1
InChiKey: RXGRWLDVWJKIHZ-GQEDHWAVSA-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
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.005	0.0993	0.0968
Toxoplasma gondii	thioredoxin reductase	0.0339	1	1
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0031	0.0422	0.0559
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.3107	0.292
Loa Loa (eye worm)	hypothetical protein	0.005	0.0993	0.0993
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0076	0.1804	0.5148
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0023	0.0181	0.0181
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0117	0.3107	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0117	0.3107	0.3088
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0031	0.0422	0.0559
Toxoplasma gondii	selenide, water dikinase	0.0031	0.0422	0.0422
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0076	0.1804	0.1781
Giardia lamblia	Histone acetyltransferase GCN5	0.0044	0.0807	0.1433
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0076	0.1804	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0422	0.0422
Leishmania major	hypothetical protein, conserved	0.0031	0.0422	0.0422
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.005	0.0993	0.2567
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0076	0.1804	0.1763
Brugia malayi	phospholipase C homolog	0.0029	0.0359	0.0359
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.3107	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.3107	0.292
Trypanosoma brucei	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0031	0.0422	0.0422
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0076	0.1804	0.5148
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0023	0.0181	0.0181
Leishmania major	hypothetical protein, conserved	0.0031	0.0422	0.0422
Schistosoma mansoni	glutamate synthase	0.0031	0.0422	0.0373
Schistosoma mansoni	sulfide quinone reductase	0.0031	0.0422	0.0373
Schistosoma mansoni	CREB-binding protein 2	0.0117	0.309	0.3055
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0086	0.2137	0.2137
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0026	0.0263	0.0263
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0023	0.0181	0.0181
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.005	0.0993	0.0968
Trypanosoma brucei	trypanothione reductase	0.0339	1	1
Plasmodium vivax	NAD(P)H-dependent glutamate synthase, putative	0.0031	0.0422	0.0373
Plasmodium falciparum	type II NADH:ubiquinone oxidoreductase	0.0031	0.0422	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1072	0.1072
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0031	0.0422	0.0395
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0076	0.1804	0.1763
Toxoplasma gondii	NADH dehydrogenase (NDH2-II)	0.0031	0.0422	0.0422
Schistosoma mansoni	glutamate synthase	0.0031	0.0422	0.0373
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0076	0.1804	0.1804
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0076	0.1804	0.1804
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.005	0.0992	0.2122
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0031	0.0422	0.0395
Echinococcus granulosus	SUMO activating enzyme subunit 1	0.0052	0.1072	0.1047
Schistosoma mansoni	lipoxygenase	0.008	0.1955	0.1914
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0031	0.0422	0.0395
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0051	0.0022
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0049	0.0992	0.0992
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0117	0.3107	0.3107
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0049	0.097	0.0924
Echinococcus granulosus	thioredoxin glutathione reductase	0.0339	1	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.1804
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0117	0.3107	0.3107
Echinococcus multilocularis	glutamate synthase	0.0031	0.0422	0.0395
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0117	0.3107	0.292
Brugia malayi	Doublecortin family protein	0.0019	0.0051	0.0051
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.1804
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0117	0.3107	0.3107
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0051	0.0022
Brugia malayi	1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4	0.0039	0.0658	0.0658
Mycobacterium tuberculosis	Possible dehydrogenase/reductase	0.0031	0.0422	0.0162
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0052	0.1076	0.1076
Plasmodium falciparum	thioredoxin reductase	0.0117	0.3107	0.3072
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0076	0.1804	0.1804
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0076	0.1804	0.1763
Schistosoma mansoni	hypothetical protein	0.0031	0.0422	0.0373
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0076	0.1804	0.5148
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0031	0.0422	0.0395
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0117	0.3107	1
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0117	0.309	0.3055
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0023	0.0181	0.0181
Trichomonas vaginalis	mercuric reductase, putative	0.0117	0.3107	1
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0031	0.0422	0.0422
Echinococcus granulosus	CREB binding protein	0.0074	0.1743	0.172
Echinococcus granulosus	1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4	0.004	0.0689	0.0663
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0076	0.1804	0.1804
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0164	0.454	0.4512
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0117	0.3107	0.3072
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0339	1	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0049	0.0992	0.0966
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0051	0.0022
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.005	0.0993	0.0993
Plasmodium vivax	type II NADH:ubiquinone oxidoreductase, putative	0.0031	0.0422	0.0373
Plasmodium falciparum	glutathione reductase	0.0117	0.3107	0.3072
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0023	0.0181	0.0181
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0076	0.1804	0.1763
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0031	0.0422	0.0422
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0031	0.0422	0.0395
Plasmodium falciparum	SUMO-activating enzyme subunit 1	0.0052	0.1072	0.1027
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0117	0.3107	0.3107
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0076	0.1804	1
Trichomonas vaginalis	glutamate synthase, putative	0.0031	0.0422	0.0559
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.0807	0.076
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0076	0.1804	0.1804
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0049	0.0992	0.2561
Mycobacterium tuberculosis	Probable thioredoxin reductase TrxB2 (TRXR) (TR)	0.0031	0.0422	0.0162
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0031	0.0422	0.0559
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0117	0.3107	0.3072
Echinococcus granulosus	CREB binding protein	0.0117	0.309	0.307
Trypanosoma cruzi	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0031	0.0422	0.0422
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0117	0.3107	0.3107
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0051	0.0051
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0049	0.0992	0.0992
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0117	0.3107	0.3107
Entamoeba histolytica	acetyltransferase, GNAT family	0.0044	0.0807	0.2783
Treponema pallidum	NADH oxidase	0.0117	0.3107	1
Echinococcus multilocularis	SUMO activating enzyme subunit 1	0.0052	0.1072	0.1047
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0117	0.3107	0.3107
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.5419
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.0992	0.0992
Mycobacterium leprae	PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE)	0.0031	0.0422	0.0555
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0031	0.0422	0.0559
Brugia malayi	Thioredoxin reductase	0.0339	1	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0117	0.3107	1
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.0992	0.0992
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.1804
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0031	0.0422	0.0422
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0117	0.3107	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0117	0.3107	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0117	0.3107	0.3107
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0076	0.1804	0.1781
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0031	0.0422	0.0422
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0076	0.1804	0.1804
Loa Loa (eye worm)	hypothetical protein	0.004	0.0689	0.0689
Brugia malayi	ThiF family protein	0.0052	0.1072	0.1072
Plasmodium vivax	thioredoxin reductase, putative	0.0339	1	1
Leishmania major	2,4-dienoyl-coa reductase-like protein	0.0031	0.0422	0.0422
Trypanosoma cruzi	2,4-dienoyl-coa reductase-like protein, putative	0.0031	0.0422	0.0422
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0031	0.0422	0.0395
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0031	0.0422	0.0162
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0052	0.1076	0.1076
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0031	0.0422	0.0162
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0117	0.3107	0.3107
Echinococcus multilocularis	1 phosphatidylinositol 4,5 bisphosphate	0.004	0.0689	0.0663
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.5419
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0031	0.0422	0.0395
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0049	0.0992	0.0946
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0031	0.0422	0.0422
Echinococcus granulosus	RUN	0.0019	0.0051	0.0022
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0157	0.4337	0.4321
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0117	0.3107	0.3072
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0031	0.0422	0.0395
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0117	0.3107	0.3088
Echinococcus granulosus	glutamate synthase	0.0031	0.0422	0.0395
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0031	0.0422	0.0395
Leishmania major	trypanothione reductase	0.0339	1	1
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0076	0.1804	0.1804
Toxoplasma gondii	non-proton pumping type-II NADH dehydrogenase I	0.0031	0.0422	0.0422
Leishmania major	hypothetical protein, conserved	0.0031	0.0422	0.0422
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0117	0.3107	0.3107
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0031	0.0422	0.0422
Trypanosoma cruzi	trypanothione reductase, putative	0.0117	0.3107	0.3107
Trichomonas vaginalis	glutamate synthase, putative	0.0031	0.0422	0.0559
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0031	0.0422	0.0395
Mycobacterium tuberculosis	Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase)	0.0031	0.0422	0.0162
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0076	0.1804	1
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0031	0.0422	0.0422
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.0023	0.0181	0.0181
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0117	0.3107	0.3107
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0076	0.1804	0.5148
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1102	0.1102
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.0992	0.0992
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.005	0.0993	0.0993
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0051	0.0022
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.1804
Brugia malayi	acetyltransferase, GNAT family protein	0.0164	0.454	0.454
Trypanosoma brucei	NADH dehydrogenase	0.0031	0.0422	0.0422
Schistosoma mansoni	lipoxygenase	0.0115	0.3033	0.2998
Loa Loa (eye worm)	programmed cell death 8	0.0031	0.0422	0.0422
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.005	0.0992	0.0992
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0339	1	1
Mycobacterium tuberculosis	NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase)	0.0031	0.0422	0.0162
Plasmodium falciparum	thioredoxin reductase	0.0339	1	1
Trypanosoma cruzi	2,4-dienoyl-coa reductase fadh1, putative	0.0031	0.0422	0.0422
Loa Loa (eye worm)	hypothetical protein	0.004	0.0689	0.0689
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0117	0.3107	0.3072
Plasmodium vivax	glutathione reductase, putative	0.0339	1	1
Trypanosoma brucei	2,4-dienoyl-coa reductase-like protein	0.0031	0.0422	0.0422
Trichomonas vaginalis	glutathione reductase, putative	0.0117	0.3107	1
Mycobacterium tuberculosis	Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase)	0.0031	0.0422	0.0162
Trypanosoma cruzi	trypanothione reductase, putative	0.0339	1	1
Mycobacterium leprae	THIOREDOXIN TRXC (TRX) (MPT46)	0.0031	0.0422	0.0555
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0051	0.0022
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0076	0.1804	0.1804
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0117	0.3107	0.3107
Plasmodium falciparum	glutathione reductase	0.0339	1	1
Onchocerca volvulus		0.0031	0.0422	0.5819
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0117	0.3107	0.3107
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0076	0.1804	0.1804
Trypanosoma brucei	hypothetical protein, conserved	0.0031	0.0422	0.0422
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0115	0.3033	0.3013
Plasmodium falciparum	NAD(P)H-dependent glutamate synthase, putative	0.0031	0.0422	0.0373
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0049	0.0992	0.2561
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0115	0.3033	0.3013
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.5419
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0086	0.2137	0.2137
Onchocerca volvulus		0.004	0.0689	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0051	0.0051
Onchocerca volvulus		0.004	0.0689	1
Brugia malayi	hypothetical protein	0.0019	0.0051	0.0051
Schistosoma mansoni	phospholipase C beta	0.0039	0.0658	0.0611
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0031	0.0422	0.0559
Schistosoma mansoni	glutamate synthase	0.0031	0.0422	0.0373
Schistosoma mansoni	disulfide oxidoreductase	0.0031	0.0422	0.0373
Mycobacterium leprae	Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE)	0.0031	0.0422	0.0555
Loa Loa (eye worm)	thioredoxin reductase	0.0339	1	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0076	0.1804	0.1781
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0076	0.1804	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.005	0.0993	0.2567
Leishmania major	NADH dehydrogenase, putative	0.0031	0.0422	0.0422
Echinococcus multilocularis	CREB binding protein	0.0081	0.1986	0.1963
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0031	0.0422	0.0422
Leishmania major	2,4-dienoyl-coa reductase fadh1, putative	0.0031	0.0422	0.0422
Mycobacterium tuberculosis	Probable reductase	0.0031	0.0422	0.0162
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0031	0.0422	0.0559
Plasmodium vivax	ubiquitin activating enzyme, putative	0.0052	0.1072	0.1027
Loa Loa (eye worm)	CBP-B	0.0082	0.2016	0.2016
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0076	0.1804	0.1804
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0076	0.1804	0.1781
Brugia malayi	hypothetical protein	0.0019	0.0051	0.0051
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0031	0.0422	0.0422
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0031	0.0422	0.0422
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0076	0.1804	0.1763
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.5419
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0031	0.0422	0.0559
Plasmodium vivax	ferrodoxin reductase, putative	0.0031	0.0422	0.0373
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0117	0.3107	0.3107
Toxoplasma gondii	NADPH-glutathione reductase	0.0117	0.3107	0.3107
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0031	0.0422	0.0559
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0031	0.0422	0.0162
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0117	0.3107	1
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0031	0.0422	0.0422
Mycobacterium tuberculosis	Probable dehydrogenase	0.0031	0.0422	0.0162
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0031	0.0422	0.0555
Loa Loa (eye worm)	acetyltransferase	0.0164	0.454	0.454
Echinococcus multilocularis	RUN	0.0019	0.0051	0.0022
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0031	0.0422	0.0162
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0031	0.0422	0.0395
Brugia malayi	TAZ zinc finger family protein	0.0117	0.309	0.309
Loa Loa (eye worm)	Plcb4 protein	0.0039	0.0658	0.0658
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0117	0.3107	0.3072
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0031	0.0422	0.0559
Brugia malayi	Variant SH3 domain containing protein	0.0121	0.323	0.323
Brugia malayi	glutamate synthase	0.0031	0.0422	0.0422
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0076	0.1804	0.1763
Trypanosoma cruzi	hypothetical protein, conserved	0.0031	0.0422	0.0422
Trichomonas vaginalis	dihydrolipoamide dehydrogenase, putative	0.0031	0.0422	0.0559
Loa Loa (eye worm)	glutathione reductase	0.0339	1	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0117	0.3107	1
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0051	0.0022
Toxoplasma gondii	hypothetical protein	0.0052	0.1072	0.1072
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0117	0.3107	0.3107
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0051	0.0051
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0117	0.3107	0.3107
Mycobacterium leprae	Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate	0.0031	0.0422	0.0555
Schistosoma mansoni	phospholipase C-like protein 2 plc-L2	0.0029	0.0359	0.031
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0031	0.0422	0.0422
Plasmodium falciparum	ferrodoxin reductase-like protein	0.0031	0.0422	0.0373
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0031	0.0422	0.0395
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0117	0.3107	0.3107
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.3107	0.292
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0164	0.454	0.4524
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.1804	0.5419
Schistosoma mansoni	sulfide quinone reductase	0.0031	0.0422	0.0373
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0117	0.3107	0.3107
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0031	0.0422	0.0422
Mycobacterium tuberculosis	Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate	0.0031	0.0422	0.0162
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0052	0.1072	0.1027
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0076	0.1804	0.5148
Trypanosoma cruzi	hypothetical protein, conserved	0.0031	0.0422	0.0422
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0121	0.323	0.323
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0031	0.0422	0.0559

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	> 30 uM	Cytotoxicity against mouse L1210 cells	ChEMBL.	23541671
MCC (ADMET)	>= 100 uM	Cytotoxicity against human HEL cells	ChEMBL.	23541671

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: CHEMBL2386979

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1780621