TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 593.792 | Formula: C33H55NO8
H donors: 3 H acceptors: 4 LogP: 5.98 Rotable bonds: 20
Rule of 5 violations (Lipinski): 2
SMILES: COCO[C@H]1[C@H](C)[C@H](CC/C=C\[C@@H]([C@@H](C(/C=C\CC[C@H]([C@@H]([C@H]([C@H](/C=C\C=C)C)OC(=O)N)C)O)C)O)C)OC(=O)[C@@H]1C
InChi: 1S/C33H55NO8/c1-9-10-15-23(4)30(42-33(34)38)24(5)27(35)18-13-11-16-21(2)29(36)22(3)17-12-14-19-28-25(6)31(40-20-39-8)26(7)32(37)41-28/h9-12,15-17,21-31,35-36H,1,13-14,18-20H2,2-8H3,(H2,34,38)/b15-10-,16-11-,17-12-/t21?,22-,23-,24-,25+,26+,27+,28-,29+,30-,31-/m0/s1
InChiKey: RRTHUIIAAONSJG-QAJQVAJLSA-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	sodium/chloride dependent neurotransmitter transporter	0.0104	0.0285	0.0658
Echinococcus multilocularis	ubiquitin specific protease 41	0.0039	0.0064	0.0064
Schistosoma mansoni	survival motor neuron protein	0.005	0.0104	0.024
Loa Loa (eye worm)	phosphofructokinase	0.0114	0.0319	0.1631
Treponema pallidum	methyl-accepting chemotaxis protein (mcp2-1)	0.1692	0.57	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0026	0.002	0.0046
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0026	0.002	0.002
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0104	0.0285	0.0285
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0026	0.002	0.0046
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0026	0.002	0.0101
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0026	0.002	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0109	0.0558
Schistosoma mansoni	hypothetical protein	0.0036	0.0054	0.0125
Brugia malayi	EGF-like domain containing protein	0.0052	0.0109	0.0558
Brugia malayi	Pre-SET motif family protein	0.042	0.1365	0.6968
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.0036	0.2088
Schistosoma mansoni	hypothetical protein	0.0694	0.2297	0.5312
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0017	0.0605
Toxoplasma gondii	6-phosphofructokinase	0.0031	0.0036	0.0475
Echinococcus granulosus	lamin	0.0056	0.0124	0.0124
Echinococcus granulosus	expressed protein	0.0391	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Onchocerca volvulus		0.0056	0.0124	0.0732
Brugia malayi	hypothetical protein	0.0119	0.0336	0.1714
Echinococcus multilocularis	FTZ F1 alpha	0.0026	0.002	0.002
Onchocerca volvulus		0.0055	0.0119	0.0701
Treponema pallidum	76K protein	0.0055	0.0119	0.0145
Echinococcus granulosus	tumor protein p63	0.0338	0.1083	0.1083
Onchocerca volvulus		0.0026	0.002	0.0065
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0104	0.0529
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	0.0319	0.2043
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0114	0.0319	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0017	0.0249
Brugia malayi	Zona pellucida-like domain containing protein	0.0055	0.0119	0.0605
Echinococcus granulosus	ecdysone induced protein 78C	0.0026	0.002	0.002
Entamoeba histolytica	phosphofructokinase, putative	0.0114	0.0319	1
Loa Loa (eye worm)	CUTiclin family member	0.0055	0.0119	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Echinococcus granulosus	lamin dm0	0.0056	0.0124	0.0124
Entamoeba histolytica	hypothetical protein	0.0036	0.0054	0.1696
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0039	0.0064	0.0147
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0017	0.0709
Entamoeba histolytica	hypothetical protein	0.0036	0.0054	0.1696
Brugia malayi	Pre-SET motif family protein	0.006	0.0137	0.07
Schistosoma mansoni	coup transcription factor	0.0026	0.002	0.0046
Echinococcus multilocularis	lamin	0.0056	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.0101
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0187	0.0571	1
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1343	0.4511	0.4511
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0039	0.0064	0.0147
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0026	0.002	0.0046
Schistosoma mansoni	nuclear hormone receptor	0.0026	0.002	0.0046
Entamoeba histolytica	phosphofructokinase, putative	0.0114	0.0319	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0026	0.002	0.002
Leishmania major	ATP-dependent phosphofructokinase	0.0114	0.0319	0.5521
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.0101
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0187	0.0571	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0036	0.0233
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0026	0.002	0.0101
Entamoeba histolytica	hypothetical protein	0.0036	0.0054	0.1696
Entamoeba histolytica	phosphofructokinase, putative	0.0114	0.0319	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0187	0.0571	1
Onchocerca volvulus		0.0479	0.1563	1
Echinococcus granulosus	tissue type plasminogen activator	0.0023	0.001	0.001
Echinococcus multilocularis	tissue type plasminogen activator	0.0023	0.001	0.001
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0126	0.036	0.036
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.006	0.0137	0.0137
Toxoplasma gondii	von Willebrand factor type A domain-containing protein	0.0055	0.0119	0.1941
Echinococcus granulosus	collagen alpha 1VII chain	0.0055	0.0119	0.0119
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0058	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0055	0.012	0.0613
Brugia malayi	6-phosphofructokinase	0.0114	0.0319	0.1631
Loa Loa (eye worm)	TK/ROR protein kinase	0.0023	0.001	0.005
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0064	0.1737
Brugia malayi	intermediate filament protein	0.0056	0.0124	0.0631
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0054	0.0054
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0114	0.0319	1
Brugia malayi	hypothetical protein	0.0103	0.0281	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0049	0.01	0.0511
Schistosoma mansoni	chondroitin sulfate proteoglycan-related	0.0052	0.0109	0.0253
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0055	0.0119	0.3713
Schistosoma mansoni	6-phosphofructokinase	0.0114	0.0319	0.0739
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0054	0.0054
Brugia malayi	von Willebrand factor type A domain containing protein	0.0055	0.0119	0.0605
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.2954	1	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0039	0.0064	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0026	0.002	0.0101
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0036	0.0233
Brugia malayi	von Willebrand factor type A domain containing protein	0.0055	0.0119	0.0605
Entamoeba histolytica	hypothetical protein, conserved	0.0055	0.0119	0.3713
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.002	0.002
Toxoplasma gondii	phosphofructokinase PFKII	0.0031	0.0036	0.0475
Onchocerca volvulus		0.0056	0.0124	0.0732
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0026	0.002	0.0101
Brugia malayi	follicle stimulating hormone receptor	0.0245	0.0766	0.3909
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.0101
Onchocerca volvulus		0.0055	0.0119	0.0701
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0026	0.002	0.0065
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.01	0.0231
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.002	0.002
Schistosoma mansoni	intermediate filament proteins	0.0056	0.0124	0.0286
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0026	0.002	0.002
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0036	0.0233
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0064	0.0407
Brugia malayi	hypothetical protein	0.0025	0.0017	0.0089
Entamoeba histolytica	hypothetical protein	0.0036	0.0054	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Entamoeba histolytica	hypothetical protein	0.0055	0.0119	0.3713
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0223	0.0692	0.1601
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0026	0.002	0.0101
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0026	0.002	0.0101
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.002	0.002
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0026	0.002	0.0101
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.065	0.2146	0.4963
Schistosoma mansoni	thyroid hormone receptor	0.0152	0.0449	0.1038
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0054	0.0125
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.006	0.0137	0.2272
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0031	0.0036	0.0233
Onchocerca volvulus		0.0055	0.0119	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0109	0.0558
Echinococcus multilocularis	neurogenic locus notch protein	0.0052	0.0109	0.0109
Brugia malayi	von Willebrand factor type A domain containing protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0034	0.0176
Brugia malayi	phosphofructokinase	0.0114	0.0319	0.1631
Echinococcus granulosus	slit 2 protein	0.0052	0.0109	0.0109
Echinococcus multilocularis	survival motor neuron protein 1	0.0247	0.0775	0.0775
Schistosoma mansoni	hypothetical protein	0.005	0.0104	0.024
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0026	0.002	0.0101
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0064	0.1526
Echinococcus granulosus	ubiquitin specific protease 41	0.0039	0.0064	0.0064
Brugia malayi	nuclear receptor NHR-88	0.0026	0.002	0.0101
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0036	0.0233
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0026	0.002	0.0101
Echinococcus multilocularis	musashi	0.0056	0.0124	0.0124
Plasmodium vivax	hypothetical protein, conserved	0.0055	0.0119	0.854
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0024	0.0124
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0104	0.0285	0.0285
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0104	0.0285	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Schistosoma mansoni	thyroid hormone receptor	0.0152	0.0449	0.1038
Echinococcus granulosus	pikachurin	0.0052	0.0109	0.0109
Loa Loa (eye worm)	cytochrome P450 family protein	0.0068	0.0162	0.0827
Schistosoma mansoni	lamin	0.0056	0.0124	0.0286
Brugia malayi	Cache domain containing protein	0.0595	0.1959	1
Echinococcus multilocularis	tumor protein p63	0.0338	0.1083	0.1083
Onchocerca volvulus		0.006	0.0137	0.082
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0064	0.0324
Echinococcus granulosus	intermediate filament protein	0.0056	0.0124	0.0124
Loa Loa (eye worm)	abnormal epIthelia family member	0.0052	0.0109	0.0558
Echinococcus granulosus	survival motor neuron protein 1	0.0247	0.0775	0.0775
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0056	0.0124	0.0631
Toxoplasma gondii	aldehyde dehydrogenase	0.0187	0.0571	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.0064	0.0407
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0152	0.0449	0.0449
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0026	0.002	0.002
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.0036	0.2088
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0026	0.002	0.0046
Echinococcus multilocularis	slit 2 protein	0.0052	0.0109	0.0109
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0017	0.0709
Schistosoma mansoni	slit	0.0052	0.0109	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Brugia malayi	Thrombospondin N-terminal -like domain containing protein	0.0052	0.0109	0.0558
Schistosoma mansoni	aldehyde dehydrogenase	0.0187	0.0571	0.132
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0104	0.0285	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0124	0.0631
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0026	0.002	0.0101
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.0036	0.2445
Onchocerca volvulus		0.0055	0.0119	0.0701
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0137	0.0317
Loa Loa (eye worm)	CUTiclin-Like family member	0.0055	0.0119	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0247	0.0775	0.3958
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0026	0.002	0.0046
Trichomonas vaginalis	set domain proteins, putative	0.0479	0.1563	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0187	0.0571	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	0.0319	0.2043
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0055	0.0119	0.0759
Schistosoma mansoni	RAR-like nuclear receptor	0.0026	0.002	0.0046
Brugia malayi	Cytochrome P450 family protein	0.0068	0.0162	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0285	0.1453
Treponema pallidum	hypothetical protein	0.0055	0.0119	0.0145
Onchocerca volvulus	Protein ultraspiracle homolog	0.0026	0.002	0.0065
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0017	0.0138
Brugia malayi	steroid hormone receptor	0.0026	0.002	0.0101
Loa Loa (eye worm)	6-phosphofructokinase	0.0114	0.0319	0.1631
Onchocerca volvulus	Bile acid receptor homolog	0.0026	0.002	0.0065
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.006	0.0137	0.0137
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0055	0.0119	0.0605
Brugia malayi	laminin-like protein K08C7.3 precursor	0.0052	0.0109	0.0558
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.006	0.0137	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.0101
Schistosoma mansoni	hypothetical protein	0.0126	0.036	0.0834
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0137	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.0101
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0026	0.002	0.002
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0036	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0039	0.0064	0.0324
Leishmania major	hypothetical protein, conserved	0.0025	0.0017	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0021	0.0106
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0036	0.0233
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.0036	0.5
Brugia malayi	laminin alpha chain	0.0052	0.0109	0.0558
Plasmodium vivax	von Willebrand factor A domain-related protein, putative	0.0055	0.0119	0.854
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0026	0.002	0.0101
Schistosoma mansoni	laminin gamma-3 chain	0.0052	0.0109	0.0253
Brugia malayi	photoreceptor-specific nuclear receptor	0.0026	0.002	0.0101
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0137	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0109	0.0558
Schistosoma mansoni	lamin	0.0056	0.0124	0.0286
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0024	0.0024
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0039	0.0064	0.0064
Brugia malayi	Zona pellucida-like domain containing protein	0.0055	0.0119	0.0605
Brugia malayi	Kringle domain containing protein	0.0023	0.001	0.005
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0026	0.002	0.0101
Onchocerca volvulus		0.005	0.0104	0.0605
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0026	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0017	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0026	0.002	0.0101
Plasmodium vivax	SET domain protein, putative	0.006	0.0137	1
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.1289	0.4324	1
Onchocerca volvulus		0.0055	0.0119	0.0701
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0026	0.002	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0026	0.002	0.0101
Echinococcus multilocularis	pikachurin	0.0052	0.0109	0.0109
Onchocerca volvulus		0.0049	0.01	0.0582
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.0036	0.5
Brugia malayi	von Willebrand Factor	0.0055	0.0119	0.0605
Plasmodium falciparum	thrombospondin-related anonymous protein	0.0055	0.0119	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0187	0.0571	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0026	0.002	0.0101
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.042	0.1365	0.6968
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0034	0.0176
Schistosoma mansoni	hypothetical protein	0.0023	0.001	0.0023
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0039	0.0064	0.0959
Schistosoma mansoni	6-phosphofructokinase	0.0114	0.0319	0.0739
Echinococcus multilocularis	lamin dm0	0.0056	0.0124	0.0124
Brugia malayi	von Willebrand factor type A domain containing protein	0.0055	0.0119	0.0605
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	0.0319	0.2043
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0017	0.0249
Plasmodium falciparum	circumsporozoite- and TRAP-related protein	0.0055	0.0119	1
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0223	0.0692	0.3533
Schistosoma mansoni	retinoic acid receptor RXR	0.0026	0.002	0.0046
Brugia malayi	hypothetical protein	0.0055	0.0119	0.0605
Plasmodium falciparum	von Willebrand factor A domain-related protein	0.0055	0.0119	1
Brugia malayi	von Willebrand factor type A domain containing protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0055	0.0119	0.0605
Plasmodium vivax	dynein-related AAA-type ATPase, putative	0.0055	0.0119	0.854
Loa Loa (eye worm)	steroid hormone receptor	0.0026	0.002	0.0101
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.0124	0.0631
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.0064	0.0407
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.0036	0.2445
Echinococcus granulosus	voltage dependent calcium channel subunit	0.1343	0.4511	0.4511
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0031	0.0036	0.1139
Brugia malayi	Nuclear hormone receptor-like 1	0.0026	0.002	0.0101
Schistosoma mansoni	serine-rich repeat protein	0.0694	0.2297	0.5312
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0595	0.1959	1
Entamoeba histolytica	hypothetical protein, conserved	0.0055	0.0119	0.3713
Brugia malayi	von Willebrand factor type A domain containing protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0026	0.002	0.0101
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	0.0319	0.2043
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.005
Onchocerca volvulus		0.0055	0.0119	0.0701
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0187	0.0571	0.0571
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0039	0.0064	0.1989
Echinococcus granulosus	neurogenic locus notch protein	0.0052	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0245	0.0766	0.3909
Echinococcus multilocularis	6 phosphofructokinase	0.0114	0.0319	0.0319
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0026	0.002	0.002
Onchocerca volvulus		0.0055	0.0119	0.0701
Echinococcus multilocularis	collagen alpha 1(VII) chain	0.0055	0.0119	0.0119
Brugia malayi	hypothetical protein	0.0247	0.0775	0.3958
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0064	0.1737
Brugia malayi	nuclear hormone receptor	0.0026	0.002	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0309	0.0985	0.5027
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.0124	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0021	0.0106
Brugia malayi	6-phosphofructokinase	0.0114	0.0319	0.1631
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0026	0.002	0.0101
Schistosoma mansoni	aldehyde dehydrogenase	0.0187	0.0571	0.132
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.0101
Brugia malayi	Steroid receptor seven-up type 2	0.0026	0.002	0.0101
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0055	0.0119	0.0605
Schistosoma mansoni	cell polarity protein	0.0052	0.0109	0.0253
Echinococcus multilocularis	ecdysone induced protein 78C	0.0026	0.002	0.002
Plasmodium vivax	thrombospondin-related anonymous protein	0.0055	0.0119	0.854
Echinococcus multilocularis	expressed protein	0.0391	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.0101
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0039	0.0064	0.0064
Echinococcus granulosus	histone lysine methyltransferase setb	0.006	0.0137	0.0137
Schistosoma mansoni	hypothetical protein	0.0055	0.0119	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	6-phosphofructokinase	0.0114	0.0319	0.1631
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0223	0.0692	0.0692
Echinococcus granulosus	FTZ F1 alpha	0.0026	0.002	0.002
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0285	0.1453
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0026	0.002	0.0046
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0024	0.0024
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0223	0.0692	0.0692
Toxoplasma gondii	microneme protein MIC2	0.0055	0.0119	0.1941
Brugia malayi	ecdysteroid receptor	0.0026	0.002	0.0101
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0114	0.0319	1
Echinococcus granulosus	6 phosphofructokinase	0.0114	0.0319	0.0319
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0026	0.002	0.0101
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0126	0.036	0.036
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0026	0.002	0.002
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0187	0.0571	1
Plasmodium vivax	circumsporozoite- and TRAP-related protein, putative	0.0055	0.0119	0.854
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.0064	0.0064
Brugia malayi	von Willebrand factor type A domain containing protein	0.0055	0.0119	0.0605
Brugia malayi	von Willebrand factor type A domain containing protein	0.0055	0.0119	0.0605
Loa Loa (eye worm)	hypothetical protein	0.006	0.0137	0.07
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0031	0.0036	0.0475
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0026	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0055	0.0119	0.0274
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.0064	0.0064
Brugia malayi	hypothetical protein	0.0036	0.0054	0.0277
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0114	0.0319	0.05
Brugia malayi	Protein kinase domain containing protein	0.0023	0.001	0.005
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0026	0.002	0.0101

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 27 %	Percent assembly of bovine brain tubulin induced by compound at 10 uM versus that caused by 10 uM paclitaxel	ChEMBL.	12825928
Activity (functional)	= 27 %	Percent assembly of bovine brain tubulin induced by compound at 10 uM versus that caused by 10 uM paclitaxel	ChEMBL.	12825928
Activity (functional)	= 57 %	Percent competition for binding to preformed microtubules by 4 uM of the compound as against 2 uM of 3[H]paclitaxel	ChEMBL.	12825928
GI50 (functional)	= 0.65 nM	Inhibitory concentration of the compound against 2008 (ovarian) cells	ChEMBL.	12825928
GI50 (functional)	= 0.65 nM	Inhibitory concentration of the compound against 2008 (ovarian) cells	ChEMBL.	12825928
GI50 (functional)	= 0.87 nM	Inhibitory concentration of the compound against MBA-MB231 (breast) cells	ChEMBL.	12825928
GI50 (functional)	= 1.8 nM	Inhibitory concentration of the compound against PC3 (prostrate) cells	ChEMBL.	12825928
GI50 (functional)	= 1.8 nM	Inhibitory concentration of the compound against PC3 (prostrate) cells	ChEMBL.	12825928

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

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 161984