TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 312.32 | Formula: C17H16N2O4
H donors: 2 H acceptors: 2 LogP: 2.99 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)O)c1n[nH]cc1Oc1cccc(c1)OC
InChi: 1S/C17H16N2O4/c1-21-11-4-3-5-13(8-11)23-16-10-18-19-17(16)14-7-6-12(22-2)9-15(14)20/h3-10,20H,1-2H3,(H,18,19)
InChiKey: SYMWRIYHMQTJMC-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	arachidonate 15-lipoxygenase	Starlite/ChEMBL	No references
Homo sapiens	synuclein, alpha (non A4 component of amyloid precursor)	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	ubiquitin specific peptidase 2	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	arachidonate 12-lipoxygenase	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Leishmania donovani	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	Get druggable targets OG5_127431	All targets in OG5_127431
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium hominis	ubiquitin specific protease 66	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium parvum	ubiquitin C-terminal hydrolase of the cysteine proteinase fold	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Leishmania braziliensis	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR015063,Domain of unknown function DUF1873,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus granulosus	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma congolense	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	ubiquitin-specific protease	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma brucei gambiense	ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania infantum	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Leishmania mexicana	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Echinococcus granulosus	arachidonate 5 lipoxygenase	arachidonate 12-lipoxygenase	663 aa	662 aa	22.8 %
Plasmodium falciparum	ubiquitin specific protease, putative	ubiquitin specific peptidase 2	362 aa	378 aa	25.7 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Echinococcus granulosus	arachidonate 5 lipoxygenase	arachidonate 15-lipoxygenase	662 aa	590 aa	23.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0044	0.0044
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0126	0.0126
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0044	0.0044
Onchocerca volvulus		0.0035	0.0316	0.473
Schistosoma mansoni	choline/ethanolamine kinase	0.0034	0.0302	0.0302
Schistosoma mansoni	lamin	0.0033	0.029	0.029
Echinococcus multilocularis	tumor protein p63	0.0408	0.4843	0.4843
Loa Loa (eye worm)	hypothetical protein	0.006	0.0625	0.1475
Echinococcus granulosus	RUN	0.0048	0.0473	0.0473
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0044	0.0044
Brugia malayi	hypothetical protein	0.0048	0.0473	0.1103
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0437	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0045	0.0437	0.0437
Echinococcus granulosus	ethanolamine kinase 2	0.0034	0.0302	0.0302
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0044	0.0044
Echinococcus multilocularis	ethanolamine kinase 2	0.0034	0.0302	0.0302
Onchocerca volvulus	Putative choline\/ethanolamine kinase	0.0034	0.0302	0.4488
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0126	0.0248
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0044	0.0048
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.0437	0.0437
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0044	0.0048
Brugia malayi	steroid hormone receptor	0.0012	0.0044	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0044	0.0044
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0692	0.1029
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0625	0.1478
Loa Loa (eye worm)	choline/ethanolamine kinase	0.0034	0.0302	0.068
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0044	0.0044
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0044	0.0044
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0044	0.0044
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0316	0.0714
Echinococcus multilocularis	neuropeptide receptor A26	0.056	0.669	0.669
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0395	0.0911
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0044	0.0048
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0044	0.0044
Onchocerca volvulus		0.0033	0.029	0.4285
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0044	0.0044
Onchocerca volvulus		0.006	0.062	1
Schistosoma mansoni	rab6-interacting	0.0048	0.0473	0.0473
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0044	0.0044
Onchocerca volvulus		0.0048	0.0473	0.7453
Plasmodium vivax	choline kinase, putative	0.0346	0.4093	1
Echinococcus multilocularis	neuropeptide s receptor	0.056	0.669	0.669
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0044	0.0044
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0625	0.1475
Onchocerca volvulus		0.0048	0.0473	0.7453
Brugia malayi	hypothetical protein	0.0048	0.0473	0.1103
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0044	0.0044
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0044	0.0048
Schistosoma mansoni	lamin	0.0033	0.029	0.029
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0044	0.0044
Plasmodium falciparum	choline kinase	0.0346	0.4093	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0044	0.0044
Echinococcus granulosus	lamin	0.0033	0.029	0.029
Echinococcus granulosus	Polycystic kidney disease protein	0.0048	0.0473	0.0473
Brugia malayi	Choline/ethanolamine kinase family protein	0.0034	0.0302	0.0684
Echinococcus granulosus	choline:ethanolamine kinase	0.0346	0.4093	0.4093
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0086	0.0086
Brugia malayi	intermediate filament protein	0.0033	0.029	0.0655
Echinococcus multilocularis	lamin dm0	0.0033	0.029	0.029
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0126	0.0248
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0126	0.0252
Schistosoma mansoni	hypothetical protein	0.0019	0.0126	0.0126
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0044	0.0044
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0044	0.0044
Echinococcus granulosus	intermediate filament protein	0.0033	0.029	0.029
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0395	0.0907
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0044	0.0048
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0044	0.0044
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0045	0.0437	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0437	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.0437	0.1015
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0045	0.0437	0.0437
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0126	0.0252
Toxoplasma gondii	phosphotransferase enzyme family protein	0.0346	0.4093	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.062	0.1461
Plasmodium vivax	multidomain scavenger receptor, putative	0.0048	0.0473	0.0451
Schistosoma mansoni	loxhd1	0.0048	0.0473	0.0473
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0126	0.0126
Schistosoma mansoni	hypothetical protein	0.0205	0.2377	0.2377
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0395	0.0395
Loa Loa (eye worm)	choline Kinase A	0.0034	0.0302	0.068
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0437	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0048	0.0473	0.0473
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0045	0.0437	0.0437
Onchocerca volvulus		0.0033	0.029	0.4285
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0044	0.0044
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0044	0.0044
Schistosoma mansoni	choline/ethanolamine kinase	0.0034	0.0302	0.0302
Schistosoma mansoni	hypothetical protein	0.0019	0.0126	0.0126
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0473	0.11
Echinococcus multilocularis	cpg binding protein	0.0037	0.034	0.034
Echinococcus granulosus	cpg binding protein	0.0037	0.034	0.034
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5885	0.5885
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0044	0.0048
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0044	0.0044
Schistosoma mansoni	cpg binding protein	0.0037	0.034	0.034
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0044	0.0048
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0044	0.0048
Echinococcus multilocularis	choline:ethanolamine kinase	0.0346	0.4093	0.4093
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0283	0.0633
Schistosoma mansoni	rab6-interacting	0.0048	0.0473	0.0473
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0044	0.0048
Schistosoma mansoni	choline kinase	0.0034	0.0302	0.0302
Echinococcus granulosus	lipoxygenase domain containing protein	0.0048	0.0473	0.0473
Schistosoma mansoni	coup transcription factor	0.0012	0.0044	0.0044
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.062	0.062
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0044	0.0044
Schistosoma mansoni	polycystin 1-related	0.0048	0.0473	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0044	0.0044
Onchocerca volvulus		0.0034	0.0302	0.4488
Schistosoma mansoni	cpg binding protein	0.0037	0.034	0.034
Brugia malayi	Doublecortin family protein	0.0048	0.0473	0.1103
Brugia malayi	Choline/ethanolamine kinase family protein	0.0346	0.4093	1
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5885	0.5885
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0045	0.0437	0.0437
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0044	0.0048
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0437	0.1011
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0044	0.0044
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0044	0.0044
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0048	0.0473	0.0473
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0044	0.0044
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0044	0.0044
Loa Loa (eye worm)	doublecortin family protein	0.0048	0.0473	0.11
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.029	0.0651
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0283	0.3322	0.8104
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0044	0.0044
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0316	0.0718
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0107	0.02
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0044	0.0044
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0026	0.0026
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0044	0.0044
Echinococcus granulosus	ubiquitin specific protease 41	0.0045	0.0437	0.0437
Brugia malayi	nuclear hormone receptor	0.0012	0.0044	0.0048
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0026	0.0026
Schistosoma mansoni	intermediate filament proteins	0.0033	0.029	0.029
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0044	0.0048
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0044	0.0048
Loa Loa (eye worm)	choline/ethanolamine kinase	0.0346	0.4093	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0045	0.0437	0.0437
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0044	0.0048
Echinococcus granulosus	lipoxygenase domain containing protein	0.0048	0.0473	0.0473
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.0437	0.0437
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0133	0.1512	0.1512
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0133	0.1512	0.1512
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0437	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0045	0.0437	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0302	0.068
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0079	0.0131
Schistosoma mansoni	hypothetical protein	0.0205	0.2377	0.2377
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0044	0.0044
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0044	0.0048
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0437	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0044	0.0044
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0126	0.0126
Plasmodium falciparum	LCCL domain-containing protein	0.0048	0.0473	0.0451
Brugia malayi	Choline/ethanolamine kinase family protein	0.0034	0.0302	0.0684
Brugia malayi	follicle stimulating hormone receptor	0.0283	0.3322	0.8105
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0437	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0044	0.0044
Echinococcus granulosus	geminin	0.0205	0.2377	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0033	0.029	0.0651
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0044	0.0044
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.029	0.0655
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0044	0.0044
Schistosoma mansoni	lipoxygenase	0.0133	0.1512	0.1512
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.029	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0079	0.0131
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0044	0.0044
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0044	0.0048
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0044	0.0048
Brugia malayi	ecdysteroid receptor	0.0012	0.0044	0.0048
Echinococcus multilocularis	Polycystic kidney disease protein	0.0048	0.0473	0.0473
Schistosoma mansoni	hypothetical protein	0.0494	0.5885	0.5885
Schistosoma mansoni	cpg binding protein	0.0035	0.0316	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0086	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0473	0.11
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0788	0.0788
Schistosoma mansoni	lipoxygenase	0.0048	0.0473	0.0473
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0044	0.0048
Schistosoma mansoni	hypothetical protein	0.0019	0.0126	0.0126
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0045	0.0437	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0107	0.0204
Echinococcus granulosus	GPCR family 2	0.0019	0.0126	0.0126
Echinococcus granulosus	tumor protein p63	0.0408	0.4843	0.4843
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0044	0.0044
Schistosoma mansoni	hypothetical protein	0.0019	0.0126	0.0126
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0044	0.0044
Schistosoma mansoni	hypothetical protein	0.0048	0.0473	0.0473
Echinococcus granulosus	neuropeptide receptor A26	0.056	0.669	0.669
Echinococcus granulosus	neuropeptide s receptor	0.056	0.669	0.669
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0625	0.1478
Echinococcus multilocularis	musashi	0.0033	0.029	0.029
Echinococcus granulosus	lamin dm0	0.0033	0.029	0.029
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0126	0.0126
Echinococcus multilocularis	geminin	0.0205	0.2377	0.2377
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0044	0.0044
Echinococcus multilocularis	RUN	0.0048	0.0473	0.0473
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0086	0.0086
Echinococcus multilocularis	lamin	0.0033	0.029	0.029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0044	0.0044
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0044	0.0044

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.5104 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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

ChEMBL: CHEMBL1471435

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1326159