TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 969.978 | Formula: C51H55NO18
H donors: 5 H acceptors: 12 LogP: 2.76 Rotable bonds: 20
Rule of 5 violations (Lipinski): 3
SMILES: O=C(C[C@@H](C(=O)O)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/C51H55NO18/c1-26-33(67-47(63)40(68-36(57)22-32(55)45(60)61)38(29-16-10-7-11-17-29)52-44(59)30-18-12-8-13-19-30)24-51(64)43(69-46(62)31-20-14-9-15-21-31)41-49(6,34(56)23-35-50(41,25-65-35)70-28(3)54)42(58)39(66-27(2)53)37(26)48(51,4)5/h7-21,32-35,38-41,43,55-56,64H,22-25H2,1-6H3,(H,52,59)(H,60,61)/t32-,33-,34-,35+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1
InChiKey: CRTUEFIIIWEEFS-YRRXLOFXSA-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
Onchocerca volvulus	Dual oxidase homolog	0.0161	0.0675	0.2162
Schistosoma mansoni	hypothetical protein	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
Echinococcus granulosus	fibropellin Ia	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Brugia malayi	hypothetical protein	0.0041	0.0104	0.0104
Brugia malayi	Peroxidasin	0.0091	0.0339	0.0339
Schistosoma mansoni	histone deacetylase 1 2 3	0.0605	0.2787	0.2787
Brugia malayi	Cytochrome P450 family protein	0.0068	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1464	0.1464
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Echinococcus multilocularis	peroxidasin	0.0091	0.0339	0.0339
Echinococcus multilocularis	neurogenic locus protein delta	0.0029	0.0047	0.0047
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0042	0.0105	0.0105
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0069	0.0235	0.0757
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0069	0.0235	1
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.0339	0.0339
Echinococcus multilocularis	neurogenic locus notch protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0137	0.0137
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0062	0.0205	0.02
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
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	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
Plasmodium vivax	RNA helicase-1, putative	0.0671	0.3102	0.3099
Echinococcus multilocularis	histone deacetylase 6	0.0605	0.2787	0.2787
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 granulosus	neurogenic locus notch protein 4	0.0029	0.0047	0.0047
Plasmodium falciparum	thioredoxin reductase	0.018	0.0766	0.0573
Schistosoma mansoni	septate junction protein	0.0029	0.0047	0.0047
Leishmania major	eukaryotic initiation factor 4a, putative	0.0671	0.3102	0.3102
Brugia malayi	Thioredoxin reductase	0.018	0.0766	0.0766
Echinococcus granulosus	protein jagged 1	0.0029	0.0047	0.0047
Schistosoma mansoni	survival motor neuron protein	0.0033	0.0065	0.0065
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
Echinococcus multilocularis	histone deacetylase 8	0.0605	0.2787	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
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
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0678	0.0678
Onchocerca volvulus	Putative cubilin	0.0029	0.0047	0.0136
Onchocerca volvulus		0.0029	0.0047	0.0136
Echinococcus granulosus	histone deacetylase 7	0.0605	0.2787	0.2787
Schistosoma mansoni	slit	0.0029	0.0047	0.0047
Echinococcus granulosus	histone deacetylase 6	0.0605	0.2787	0.2787
Echinococcus granulosus	neural cadherin	0.0029	0.0047	0.0047
Plasmodium falciparum	glutathione reductase	0.018	0.0766	0.0573
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0062	0.0205	0.0205
Brugia malayi	eukaryotic initiation factor 4A	0.0671	0.3102	0.3102
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Echinococcus granulosus	biogenic amine 5HT receptor	0.0327	0.1464	0.1464
Loa Loa (eye worm)	histone deacetylase 7A	0.0605	0.2787	0.2787
Echinococcus granulosus	survival motor neuron protein 1	0.0162	0.0678	0.0678
Echinococcus multilocularis	histone deacetylase 3	0.212	1	1
Schistosoma mansoni	cell polarity protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.0339	0.0339
Onchocerca volvulus		0.0162	0.0679	0.2176
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0062	0.0205	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Echinococcus granulosus	histone deacetylase 3	0.212	1	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.002	0.0001	0.0001
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
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
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0005	0.0005
Echinococcus granulosus	protein jagged 2	0.0029	0.0047	0.0047
Onchocerca volvulus		0.0091	0.0339	0.108
Echinococcus multilocularis	histone deacetylase	0.0605	0.2787	0.2787
Brugia malayi	histone deacetylase 11	0.0605	0.2787	0.2787
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Schistosoma mansoni	histone deacetylase 4 5	0.0605	0.2787	0.2787
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0042	0.0105	0.0339
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0062	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Echinococcus granulosus	neurogenic locus notch protein	0.0029	0.0047	0.0047
Giardia lamblia	Histone deacetylase	0.212	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Onchocerca volvulus	Peroxidase homolog	0.0091	0.0339	0.108
Onchocerca volvulus		0.0091	0.0339	0.108
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0062	0.0205	0.5
Trypanosoma cruzi	histone deacetylase 1, putative	0.212	1	1
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
Schistosoma mansoni	peroxidasin	0.0091	0.0339	0.0339
Echinococcus granulosus	histone deacetylase 6	0.0605	0.2787	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Entamoeba histolytica	histone deacetylase, putative	0.212	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0068	0.0229	0.0229
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
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0033	0.0065	0.0065
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Schistosoma mansoni	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
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0029	0.0047	0.0047
Toxoplasma gondii	histone deacetylase HDAC3	0.212	1	1
Echinococcus multilocularis	serotonin receptor	0.0327	0.1464	0.1464
Plasmodium vivax	histone deacetylase, putative	0.0605	0.2787	0.2783
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0005	0.0005
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0104	0.0104
Onchocerca volvulus	Peroxidase homolog	0.0091	0.0339	0.108
Giardia lamblia	Fructose-bisphosphate aldolase	0.0141	0.0577	0.0533
Echinococcus granulosus	histone deacetylase 1	0.212	1	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0062	0.0205	0.0205
Loa Loa (eye worm)	glutathione reductase	0.018	0.0766	0.0766
Leishmania major	trypanothione reductase	0.018	0.0766	0.0766
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Plasmodium falciparum	histone deacetylase 1	0.212	1	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Schistosoma mansoni	histone deacetylase hda2	0.0605	0.2787	0.2787
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0671	0.3102	0.3102
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Echinococcus multilocularis	protein jagged 1	0.0029	0.0047	0.0047
Toxoplasma gondii	thioredoxin reductase	0.018	0.0766	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.002	0.0005	0.0005
Plasmodium vivax	histone deacetylase, putative	0.0605	0.2787	0.2783
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Brugia malayi	Blistered cuticle protein 3	0.0161	0.0675	0.0675
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Leishmania major	histone deacetylase, putative	0.212	1	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0062	0.0205	0.0205
Brugia malayi	Calcium binding EGF domain containing protein	0.0029	0.0047	0.0047
Leishmania major	histone deacetylase, putative	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
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
Onchocerca volvulus	Slit protein homolog	0.0029	0.0047	0.0136
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
Loa Loa (eye worm)	Notch2	0.0029	0.0047	0.0047
Echinococcus multilocularis	histone deacetylase 7	0.0605	0.2787	0.2787
Brugia malayi	Pre-SET motif family protein	0.002	0.0005	0.0005
Mycobacterium tuberculosis	Probable oxidoreductase	0.0062	0.0205	0.0661
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.0339	0.0339
Plasmodium falciparum	histone deacetylase 2	0.0605	0.2787	0.2636
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0671	0.3102	0.3102
Echinococcus granulosus	peroxidasin	0.0091	0.0339	0.0339
Onchocerca volvulus		0.0029	0.0047	0.0136
Leishmania major	eukaryotic initiation factor 4a, putative	0.0671	0.3102	0.3102
Schistosoma mansoni	histone deacetylase	0.212	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Onchocerca volvulus		0.0033	0.0065	0.0193
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0671	0.3102	1
Echinococcus multilocularis	neurogenic locus notch protein	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
Toxoplasma gondii	aldehyde dehydrogenase	0.0042	0.0105	0.0105
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Schistosoma mansoni	histone deacetylase	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0605	0.2787	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0605	0.2787	0.898
Echinococcus granulosus	histone deacetylase	0.0605	0.2787	0.2787
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
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
Echinococcus granulosus	thioredoxin glutathione reductase	0.018	0.0766	0.0766
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0327	0.1464	0.1464
Toxoplasma gondii	histone deacetylase HDAC4	0.0605	0.2787	0.2787
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
Echinococcus multilocularis	neurogenic locus protein delta	0.0029	0.0047	0.0047
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	thioredoxin reductase	0.018	0.0766	0.0766
Loa Loa (eye worm)	histone deacetylase 1	0.212	1	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.018	0.0766	0.2469
Loa Loa (eye worm)	CYP4Cod1	0.0068	0.0229	0.0229
Schistosoma mansoni	histone deacetylase 4 5	0.0605	0.2787	0.2787
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0671	0.3102	0.3102
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Trypanosoma cruzi	histone deacetylase 1, putative	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Echinococcus multilocularis	serotonin receptor	0.0327	0.1464	0.1464
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 granulosus	delta-like protein 1	0.0029	0.0047	0.0047
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.212	1	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Leishmania major	histone deacetylase, putative	0.0605	0.2787	0.2787
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Onchocerca volvulus		0.0029	0.0047	0.0136
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.212	1	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Onchocerca volvulus		0.0091	0.0339	0.108
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Leishmania major	ferric reductase, putative	0.0033	0.0065	0.0065
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0029	0.0047	0.0047
Loa Loa (eye worm)	histone deacetylase 11	0.0605	0.2787	0.2787
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0062	0.0205	0.0205
Trypanosoma brucei	cytochrome P450, putative	0.0068	0.0229	0.0229
Plasmodium falciparum	histone deacetylase, putative	0.0605	0.2787	0.2636
Trypanosoma brucei	histone deacetylase 1	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0671	0.3102	0.3102
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0062	0.0205	0.873
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Brugia malayi	Muscle positioning protein 4	0.0029	0.0047	0.0047
Echinococcus multilocularis	histone deacetylase 6	0.0605	0.2787	0.2787
Leishmania major	histone deacetylase, putative	0.0605	0.2787	0.2787
Plasmodium vivax	glutathione reductase, putative	0.018	0.0766	0.0762
Trypanosoma brucei	histone deacetylase 2	0.0605	0.2787	0.2787
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.0339	0.0339
Brugia malayi	hypothetical protein	0.0162	0.0678	0.0678
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0062	0.0205	0.5
Toxoplasma gondii	histone deacetylase HDAC1	0.0605	0.2787	0.2787
Echinococcus granulosus	neurogenic locus notch protein	0.0029	0.0047	0.0047
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
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0671	0.3102	0.2958
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0671	0.3102	0.3102
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0671	0.3102	0.3102
Echinococcus multilocularis	fibropellin Ia	0.0029	0.0047	0.0047
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0062	0.0205	0.0159
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0671	0.3102	0.307
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0062	0.0205	0.873
Loa Loa (eye worm)	histone deacetylase 3	0.212	1	1
Brugia malayi	notch-like transmembrane receptor	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Brugia malayi	Calcium binding EGF domain containing protein	0.0029	0.0047	0.0047
Echinococcus multilocularis	slit 2 protein	0.0029	0.0047	0.0047
Plasmodium vivax	histone deacetylase 2, putative	0.0605	0.2787	0.2783
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.873
Echinococcus granulosus	protein jagged 2	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	trypanothione reductase, putative	0.0062	0.0205	0.0205
Brugia malayi	EGF-like domain containing protein	0.0029	0.0047	0.0047
Trypanosoma brucei	histone deacetylase 3	0.0605	0.2787	0.2787
Toxoplasma gondii	NADPH-glutathione reductase	0.0062	0.0205	0.0205
Echinococcus multilocularis	neural cadherin	0.0029	0.0047	0.0047
Echinococcus multilocularis	protein jagged 1	0.0029	0.0047	0.0047
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Trypanosoma cruzi	histone deacetylase, putative	0.0605	0.2787	0.2787
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0671	0.3102	0.3102
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0047	0.0047
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0141	0.0577	0.0478
Onchocerca volvulus	Neurogenic locus notch homolog	0.0029	0.0047	0.0136
Brugia malayi	histone deacetylase 1 (HD1)	0.212	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Loa Loa (eye worm)	notch protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	blistered cuticle protein 3	0.0161	0.0675	0.0675
Leishmania major	cytochrome p450-like protein	0.0068	0.0229	0.0229
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
Loa Loa (eye worm)	cytochrome P450 family protein	0.0068	0.0229	0.0229
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0042	0.0105	0.4482
Echinococcus granulosus	slit 2 protein	0.0029	0.0047	0.0047
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Brugia malayi	Pre-SET motif family protein	0.0142	0.0585	0.0585
Brugia malayi	GCC2 and GCC3 family protein	0.0029	0.0047	0.0047
Toxoplasma gondii	histone deacetylase HDAC2	0.212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1464	0.1464
Onchocerca volvulus		0.0029	0.0047	0.0136
Plasmodium vivax	thioredoxin reductase, putative	0.018	0.0766	0.0762
Trypanosoma brucei	ferric reductase transmembrane protein, putative	0.0033	0.0065	0.0065
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0141	0.0577	0.038
Schistosoma mansoni	hypothetical protein	0.0033	0.0065	0.0065
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0062	0.0205	0.0205
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0042	0.0105	0.0105
Loa Loa (eye worm)	animal heme peroxidase	0.0091	0.0339	0.0339
Brugia malayi	Cytochrome P450 family protein	0.0068	0.0229	0.0229
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0068	0.0229	0.9758
Echinococcus multilocularis	survival motor neuron protein 1	0.0162	0.0678	0.0678
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0142	0.0585	0.0585
Loa Loa (eye worm)	histone deacetylase	0.0605	0.2787	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.212	1	1
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0671	0.3102	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.002	0.0005	0.0005
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0671	0.3102	0.2958
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
Echinococcus granulosus	notch	0.0029	0.0047	0.0047
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0062	0.0205	0.0205
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0042	0.0105	0.4482
Treponema pallidum	ATP-dependent RNA helicase	0.0671	0.3102	1
Onchocerca volvulus		0.0029	0.0047	0.0136
Loa Loa (eye worm)	cytochrome P450 family protein	0.0068	0.0229	0.0229
Schistosoma mansoni	peroxidasin	0.0091	0.0339	0.0339
Trichomonas vaginalis	set domain proteins, putative	0.0162	0.0679	0.0484
Schistosoma mansoni	laminin gamma-3 chain	0.0029	0.0047	0.0047
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0141	0.0577	0.0478
Plasmodium vivax	histone deacetylase 1, putative	0.212	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.018	0.0766	0.0766
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0671	0.3102	0.3102
Loa Loa (eye worm)	hypothetical protein	0.212	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.212	1	1
Trypanosoma brucei	histone deacetylase, putative	0.0605	0.2787	0.2787
Trypanosoma brucei	histone deacetylase 4	0.0605	0.2787	0.2787
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0062	0.0205	0.0661
Brugia malayi	Histone deacetylase family protein	0.0605	0.2787	0.2787
Onchocerca volvulus	Peroxidasin homolog	0.0091	0.0339	0.108
Brugia malayi	Animal haem peroxidase family protein	0.0091	0.0339	0.0339
Echinococcus granulosus	histone deacetylase 8	0.0605	0.2787	0.2787
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0042	0.0105	0.4482
Echinococcus granulosus	histone deacetylase 6	0.0605	0.2787	0.2787
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 multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0104	0.0104
Trypanosoma cruzi	cytochrome P450, putative	0.0068	0.0229	0.0229
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0062	0.0205	0.02
Onchocerca volvulus	Peroxidasin homolog	0.0091	0.0339	0.108
Toxoplasma gondii	histone deacetylase HDAC5	0.0605	0.2787	0.2787
Echinococcus multilocularis	histone deacetylase 1	0.212	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.002	0.0005	0.0005
Brugia malayi	Histone deacetylase family protein	0.0605	0.2787	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0042	0.0105	0.0105
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0062	0.0205	0.0205
Schistosoma mansoni	aldehyde dehydrogenase	0.0042	0.0105	0.0105
Schistosoma mansoni	notch	0.0029	0.0047	0.0047
Brugia malayi	hypothetical protein	0.0091	0.0339	0.0339
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.002	0.0005	0.0005
Schistosoma mansoni	aldehyde dehydrogenase	0.0042	0.0105	0.0105
Onchocerca volvulus	Chorion peroxidase homolog	0.0091	0.0339	0.108
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0046	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0339	0.0339
Echinococcus multilocularis	thioredoxin glutathione reductase	0.018	0.0766	0.0766

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	< 3 ng/ml	Cytotoxicity against human MCF7 cells	ChEMBL.	17419065
IC50 (functional)	< 3 ng/ml	Cytotoxicity against human EVSA-T cells	ChEMBL.	17419065
IC50 (functional)	< 3 ng/ml	Cytotoxicity against human MCF7 cells	ChEMBL.	17419065
IC50 (functional)	< 3 ng/ml	Cytotoxicity against human EVSA-T cells	ChEMBL.	17419065
Solubility	= 0.2 mg/ml	Aqueous solubility of the compound	ChEMBL.	17419065
t1/2 (ADMET)	= 20 hr	Half life in human plasma assessed as taxol circulation time	ChEMBL.	17419065
t1/2 (ADMET)	> 24 hr	Half life in PBS buffer assessed as taxol circulation time at pH 7	ChEMBL.	17419065

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17419065

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 504365