TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 953.979 | Formula: C51H55NO17
H donors: 4 H acceptors: 11 LogP: 3.32 Rotable bonds: 20
Rule of 5 violations (Lipinski): 3
SMILES: OC(=O)CCC(=O)O[C@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C
InChi: 1S/C51H55NO17/c1-27-33(66-47(62)41(67-37(58)23-22-36(56)57)39(30-16-10-7-11-17-30)52-45(60)31-18-12-8-13-19-31)25-51(63)44(68-46(61)32-20-14-9-15-21-32)42-49(6,34(55)24-35-50(42,26-64-35)69-29(3)54)43(59)40(65-28(2)53)38(27)48(51,4)5/h7-21,33-35,39-42,44,55,63H,22-26H2,1-6H3,(H,52,60)(H,56,57)/t33-,34-,35+,39-,40+,41+,42-,44-,49+,50-,51+/m0/s1
InChiKey: RBNOJYDPFALIQZ-LAVNIZMLSA-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	transcription factor LCR-F1	0.0041	0.0104	0.0104
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0005	0.0005
Plasmodium vivax	histone deacetylase, putative	0.0605	0.2787	0.2783
Toxoplasma gondii	histone deacetylase HDAC3	0.212	1	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0029	0.0047	0.0047
Echinococcus multilocularis	serotonin receptor	0.0327	0.1464	0.1464
Schistosoma mansoni	histone deacetylase hda2	0.0605	0.2787	0.2787
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Plasmodium falciparum	histone deacetylase 1	0.212	1	1
Loa Loa (eye worm)	glutathione reductase	0.018	0.0766	0.0766
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Leishmania major	trypanothione reductase	0.018	0.0766	0.0766
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0062	0.0205	0.0205
Echinococcus granulosus	histone deacetylase 1	0.212	1	1
Onchocerca volvulus	Peroxidase homolog	0.0091	0.0339	0.108
Giardia lamblia	Fructose-bisphosphate aldolase	0.0141	0.0577	0.0533
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0029	0.0047	0.0047
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0033	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0671	0.3102	0.303
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Brugia malayi	Blistered cuticle protein 3	0.0161	0.0675	0.0675
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0062	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Leishmania major	histone deacetylase, putative	0.212	1	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Leishmania major	histone deacetylase, putative	0.212	1	1
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0671	0.3102	0.3102
Plasmodium vivax	histone deacetylase, putative	0.0605	0.2787	0.2783
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.002	0.0005	0.0005
Toxoplasma gondii	thioredoxin reductase	0.018	0.0766	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Echinococcus multilocularis	protein jagged 1	0.0029	0.0047	0.0047
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0671	0.3102	1
Onchocerca volvulus		0.0033	0.0065	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Schistosoma mansoni	histone deacetylase	0.212	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Leishmania major	eukaryotic initiation factor 4a, putative	0.0671	0.3102	0.3102
Onchocerca volvulus		0.0029	0.0047	0.0136
Echinococcus granulosus	peroxidasin	0.0091	0.0339	0.0339
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0671	0.3102	0.3102
Echinococcus multilocularis	histone deacetylase 7	0.0605	0.2787	0.2787
Loa Loa (eye worm)	Notch2	0.0029	0.0047	0.0047
Brugia malayi	Pre-SET motif family protein	0.002	0.0005	0.0005
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0062	0.0205	0.0205
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0062	0.0205	0.873
Onchocerca volvulus	Slit protein homolog	0.0029	0.0047	0.0136
Echinococcus multilocularis	protein jagged 2	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0517	0.0517
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0062	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Plasmodium falciparum	histone deacetylase 2	0.0605	0.2787	0.2636
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.0339	0.0339
Mycobacterium tuberculosis	Probable oxidoreductase	0.0062	0.0205	0.0661
Echinococcus granulosus	histone deacetylase	0.0605	0.2787	0.2787
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0062	0.0205	0.0661
Schistosoma mansoni	hypothetical protein	0.0041	0.0104	0.0104
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0605	0.2787	0.2787
Schistosoma mansoni	histone deacetylase	0.212	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0042	0.0105	0.0105
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Brugia malayi	Cadherin domain containing protein	0.0029	0.0047	0.0047
Brugia malayi	Histone deacetylase 1	0.212	1	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0029	0.0047	0.0047
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0605	0.2787	0.898
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.0339	0.0339
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0069	0.0235	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0069	0.0235	0.0757
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0062	0.0205	0.02
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0137	0.0137
Echinococcus multilocularis	neurogenic locus notch protein	0.0029	0.0047	0.0047
Echinococcus granulosus	fibropellin Ia	0.0029	0.0047	0.0047
Brugia malayi	Cadherin domain containing protein	0.0029	0.0047	0.0047
Trypanosoma brucei	trypanothione reductase	0.018	0.0766	0.0766
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Onchocerca volvulus	Dual oxidase homolog	0.0161	0.0675	0.2162
Echinococcus multilocularis	peroxidasin	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0042	0.0105	0.0105
Echinococcus multilocularis	neurogenic locus protein delta	0.0029	0.0047	0.0047
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1464	0.1464
Brugia malayi	Cytochrome P450 family protein	0.0068	0.0229	0.0229
Schistosoma mansoni	histone deacetylase 1 2 3	0.0605	0.2787	0.2787
Brugia malayi	Peroxidasin	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Brugia malayi	hypothetical protein	0.0041	0.0104	0.0104
Echinococcus granulosus	histone deacetylase 6	0.0605	0.2787	0.2787
Schistosoma mansoni	slit	0.0029	0.0047	0.0047
Echinococcus granulosus	histone deacetylase 7	0.0605	0.2787	0.2787
Onchocerca volvulus		0.0029	0.0047	0.0136
Onchocerca volvulus	Putative cubilin	0.0029	0.0047	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0678	0.0678
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0671	0.3102	0.2958
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0671	0.3102	0.3102
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Echinococcus granulosus	survival motor neuron protein 1	0.0162	0.0678	0.0678
Echinococcus multilocularis	histone deacetylase 3	0.212	1	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0605	0.2787	0.2787
Echinococcus granulosus	biogenic amine 5HT receptor	0.0327	0.1464	0.1464
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Brugia malayi	eukaryotic initiation factor 4A	0.0671	0.3102	0.3102
Plasmodium falciparum	glutathione reductase	0.018	0.0766	0.0573
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0062	0.0205	0.0205
Echinococcus granulosus	neural cadherin	0.0029	0.0047	0.0047
Plasmodium falciparum	thioredoxin reductase	0.018	0.0766	0.0573
Echinococcus granulosus	neurogenic locus notch protein 4	0.0029	0.0047	0.0047
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0062	0.0205	0.0661
Echinococcus granulosus	histone lysine methyltransferase setb	0.002	0.0005	0.0005
Echinococcus multilocularis	histone deacetylase 6	0.0605	0.2787	0.2787
Plasmodium vivax	RNA helicase-1, putative	0.0671	0.3102	0.3099
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0029	0.0047	0.0047
Echinococcus multilocularis	histone deacetylase 6	0.0605	0.2787	0.2787
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0046	0.0126	0.0126
Brugia malayi	Delta serrate ligand family protein	0.0029	0.0047	0.0047
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Echinococcus multilocularis	histone deacetylase 8	0.0605	0.2787	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Schistosoma mansoni	survival motor neuron protein	0.0033	0.0065	0.0065
Echinococcus granulosus	protein jagged 1	0.0029	0.0047	0.0047
Brugia malayi	Thioredoxin reductase	0.018	0.0766	0.0766
Leishmania major	eukaryotic initiation factor 4a, putative	0.0671	0.3102	0.3102
Schistosoma mansoni	septate junction protein	0.0029	0.0047	0.0047
Onchocerca volvulus		0.0091	0.0339	0.108
Echinococcus granulosus	protein jagged 2	0.0029	0.0047	0.0047
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0005	0.0005
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Schistosoma mansoni	histone deacetylase 4 5	0.0605	0.2787	0.2787
Brugia malayi	histone deacetylase 11	0.0605	0.2787	0.2787
Echinococcus multilocularis	histone deacetylase	0.0605	0.2787	0.2787
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0062	0.0205	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Onchocerca volvulus		0.0162	0.0679	0.2176
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.0339	0.0339
Schistosoma mansoni	cell polarity protein	0.0029	0.0047	0.0047
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.0339	0.0339
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0029	0.0047	0.0136
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.002	0.0001	0.0001
Echinococcus granulosus	histone deacetylase 3	0.212	1	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.212	1	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0062	0.0205	0.5
Onchocerca volvulus		0.0091	0.0339	0.108
Onchocerca volvulus	Peroxidase homolog	0.0091	0.0339	0.108
Trypanosoma cruzi	cytochrome P450, putative	0.0068	0.0229	0.0229
Entamoeba histolytica	histone deacetylase, putative	0.212	1	1
Echinococcus granulosus	histone deacetylase 6	0.0605	0.2787	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Schistosoma mansoni	peroxidasin	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Brugia malayi	glutathione reductase	0.018	0.0766	0.0766
Echinococcus multilocularis	notch	0.0029	0.0047	0.0047
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0033	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0062	0.0205	0.0205
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0042	0.0105	0.0339
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Giardia lamblia	Histone deacetylase	0.212	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	blistered cuticle protein 3	0.0161	0.0675	0.0675
Loa Loa (eye worm)	notch protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Echinococcus granulosus	slit 2 protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	cytochrome P450 family protein	0.0068	0.0229	0.0229
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0042	0.0105	0.4482
Toxoplasma gondii	EGF family domain-containing protein	0.0029	0.0047	0.0047
Treponema pallidum	ATP-binding protein (ylxH-1)	0.0257	0.113	0.3191
Leishmania major	cytochrome p450-like protein	0.0068	0.0229	0.0229
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0671	0.3102	0.3102
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Echinococcus multilocularis	protein jagged 1	0.0029	0.0047	0.0047
Echinococcus multilocularis	neural cadherin	0.0029	0.0047	0.0047
Brugia malayi	histone deacetylase 1 (HD1)	0.212	1	1
Onchocerca volvulus	Neurogenic locus notch homolog	0.0029	0.0047	0.0136
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0141	0.0577	0.0478
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0671	0.3102	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.212	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Loa Loa (eye worm)	histone deacetylase	0.0605	0.2787	0.2787
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0142	0.0585	0.0585
Echinococcus multilocularis	survival motor neuron protein 1	0.0162	0.0678	0.0678
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0068	0.0229	0.9758
Brugia malayi	Cytochrome P450 family protein	0.0068	0.0229	0.0229
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0671	0.3102	0.2958
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.002	0.0005	0.0005
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Trypanosoma brucei	ferric reductase transmembrane protein, putative	0.0033	0.0065	0.0065
Plasmodium vivax	thioredoxin reductase, putative	0.018	0.0766	0.0762
Onchocerca volvulus		0.0029	0.0047	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1464	0.1464
Toxoplasma gondii	histone deacetylase HDAC2	0.212	1	1
Brugia malayi	GCC2 and GCC3 family protein	0.0029	0.0047	0.0047
Brugia malayi	Pre-SET motif family protein	0.0142	0.0585	0.0585
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.0339	0.0339
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0042	0.0105	0.0105
Schistosoma mansoni	hypothetical protein	0.0033	0.0065	0.0065
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0062	0.0205	0.0205
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Brugia malayi	Histone deacetylase family protein	0.0605	0.2787	0.2787
Onchocerca volvulus	Peroxidasin homolog	0.0091	0.0339	0.108
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0062	0.0205	0.0661
Trypanosoma brucei	histone deacetylase 4	0.0605	0.2787	0.2787
Trypanosoma brucei	histone deacetylase, putative	0.0605	0.2787	0.2787
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.212	1	1
Echinococcus granulosus	histone deacetylase 8	0.0605	0.2787	0.2787
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.0339	0.0339
Trichomonas vaginalis	set domain proteins, putative	0.0162	0.0679	0.0484
Schistosoma mansoni	peroxidasin	0.0091	0.0339	0.0339
Loa Loa (eye worm)	cytochrome P450 family protein	0.0068	0.0229	0.0229
Treponema pallidum	ATP-dependent RNA helicase	0.0671	0.3102	1
Onchocerca volvulus		0.0029	0.0047	0.0136
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0042	0.0105	0.4482
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Echinococcus granulosus	notch	0.0029	0.0047	0.0047
Brugia malayi	Calcium binding EGF domain containing protein	0.0029	0.0047	0.0047
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0069	0.0235	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0671	0.3102	0.3102
Trypanosoma cruzi	trypanothione reductase, putative	0.018	0.0766	0.0766
Plasmodium vivax	histone deacetylase 1, putative	0.212	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0141	0.0577	0.0478
Schistosoma mansoni	laminin gamma-3 chain	0.0029	0.0047	0.0047
Onchocerca volvulus	Chorion peroxidase homolog	0.0091	0.0339	0.108
Schistosoma mansoni	aldehyde dehydrogenase	0.0042	0.0105	0.0105
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.002	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0091	0.0339	0.0339
Echinococcus multilocularis	thioredoxin glutathione reductase	0.018	0.0766	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0046	0.0126	0.0126
Schistosoma mansoni	histone deacetylase hda2	0.0605	0.2787	0.2787
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0671	0.3102	0.3102
Treponema pallidum	fructose-bisphosphate aldolase	0.0141	0.0577	0.1286
Echinococcus granulosus	histone deacetylase 6	0.0605	0.2787	0.2787
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0042	0.0105	0.4482
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Schistosoma mansoni	aldehyde dehydrogenase	0.0042	0.0105	0.0105
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0042	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Brugia malayi	Histone deacetylase family protein	0.0605	0.2787	0.2787
Onchocerca volvulus	Peroxidasin homolog	0.0091	0.0339	0.108
Echinococcus multilocularis	histone deacetylase 1	0.212	1	1
Toxoplasma gondii	histone deacetylase HDAC5	0.0605	0.2787	0.2787
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.002	0.0005	0.0005
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0062	0.0205	0.02
Trypanosoma cruzi	cytochrome P450, putative	0.0068	0.0229	0.0229
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0104	0.0104
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0671	0.3102	0.3102
Schistosoma mansoni	histone deacetylase 4 5	0.0605	0.2787	0.2787
Loa Loa (eye worm)	CYP4Cod1	0.0068	0.0229	0.0229
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.018	0.0766	0.2469
Loa Loa (eye worm)	histone deacetylase 1	0.212	1	1
Loa Loa (eye worm)	thioredoxin reductase	0.018	0.0766	0.0766
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0671	0.3102	0.3102
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0033	0.0065	0.0065
Echinococcus multilocularis	serotonin receptor	0.0327	0.1464	0.1464
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	histone deacetylase 1, putative	0.212	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0327	0.1464	0.1464
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Echinococcus granulosus	thioredoxin glutathione reductase	0.018	0.0766	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0005	0.0005
Echinococcus multilocularis	neurogenic locus protein delta	0.0029	0.0047	0.0047
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.0339	0.0339
Echinococcus granulosus	neurogenic locus protein delta	0.0029	0.0047	0.0047
Toxoplasma gondii	histone deacetylase HDAC4	0.0605	0.2787	0.2787
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	histone deacetylase 11	0.0605	0.2787	0.2787
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0029	0.0047	0.0047
Leishmania major	ferric reductase, putative	0.0033	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.002	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0671	0.3102	0.3102
Trypanosoma brucei	histone deacetylase 1	0.212	1	1
Plasmodium falciparum	histone deacetylase, putative	0.0605	0.2787	0.2636
Trypanosoma brucei	cytochrome P450, putative	0.0068	0.0229	0.0229
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0062	0.0205	0.0205
Leishmania major	histone deacetylase, putative	0.0605	0.2787	0.2787
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.212	1	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Echinococcus granulosus	delta-like protein 1	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Onchocerca volvulus		0.0091	0.0339	0.108
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.212	1	1
Onchocerca volvulus		0.0029	0.0047	0.0136
Brugia malayi	hypothetical protein	0.0162	0.0678	0.0678
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.0339	0.0339
Trypanosoma brucei	histone deacetylase 2	0.0605	0.2787	0.2787
Plasmodium vivax	glutathione reductase, putative	0.018	0.0766	0.0762
Leishmania major	histone deacetylase, putative	0.0605	0.2787	0.2787
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0671	0.3102	0.2958
Echinococcus granulosus	protein jagged 1	0.0029	0.0047	0.0047
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0671	0.3102	0.2958
Echinococcus granulosus	neurogenic locus notch protein	0.0029	0.0047	0.0047
Toxoplasma gondii	histone deacetylase HDAC1	0.0605	0.2787	0.2787
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0062	0.0205	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0062	0.0205	0.873
Echinococcus multilocularis	histone deacetylase 6	0.0605	0.2787	0.2787
Brugia malayi	Muscle positioning protein 4	0.0029	0.0047	0.0047
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Toxoplasma gondii	NADPH-glutathione reductase	0.0062	0.0205	0.0205
Trypanosoma brucei	histone deacetylase 3	0.0605	0.2787	0.2787
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	trypanothione reductase, putative	0.0062	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Echinococcus granulosus	protein jagged 2	0.0029	0.0047	0.0047
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.873
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0062	0.0205	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Echinococcus multilocularis	fibropellin Ia	0.0029	0.0047	0.0047
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0671	0.3102	0.3102
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0671	0.3102	0.3102
Plasmodium vivax	histone deacetylase 2, putative	0.0605	0.2787	0.2783
Echinococcus multilocularis	slit 2 protein	0.0029	0.0047	0.0047
Brugia malayi	Calcium binding EGF domain containing protein	0.0029	0.0047	0.0047
Brugia malayi	notch-like transmembrane receptor	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0062	0.0205	0.873
Loa Loa (eye worm)	histone deacetylase 3	0.212	1	1
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0671	0.3102	0.307
Schistosoma mansoni	notch	0.0029	0.0047	0.0047

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 50 %	Cytotoxicity against human MCF7 cells at 25 ng/mL	ChEMBL.	17113288
Activity (functional)	= 50 %	Cytotoxicity against human MCF7 cells at 25 ng/mL	ChEMBL.	17113288
ED50 (functional)	= 1 10'-2 ug/ml	Cytotoxicity against human KB cells	ChEMBL.	2898009
T/C (functional)	= 112 %	In vivo cytotoxicity against mouse P388 cells at 11 mg/kg	ChEMBL.	2898009
T/C (functional)	= 122 %	In vivo cytotoxicity against mouse P388 cells at 22 mg/kg	ChEMBL.	2898009
T/C (functional)	= 129 %	In vivo cytotoxicity against mouse P388 cells at 44 mg/kg	ChEMBL.	2898009

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

PubChem: 25024567

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 438545