TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 495.612 | Formula: C31H33N3O3
H donors: 1 H acceptors: 2 LogP: 5.17 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)OCCN1CCC(CC1)C(=O)NC(c1ccc2c(n1)cccc2)c1ccccc1
InChi: 1S/C31H33N3O3/c1-36-26-12-14-27(15-13-26)37-22-21-34-19-17-25(18-20-34)31(35)33-30(24-8-3-2-4-9-24)29-16-11-23-7-5-6-10-28(23)32-29/h2-16,25,30H,17-22H2,1H3,(H,33,35)
InChiKey: CLUCMFKOKXHDQU-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	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0316	0.2682	1
Brugia malayi	Bromodomain containing protein	0.0083	0.0576	0.0568
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0089	0.0636	0.0636
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0105	0.013
Schistosoma mansoni	hypothetical protein	0.0055	0.0326	0.0535
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0073	0.0486	0.0798
Echinococcus multilocularis	geminin	0.0363	0.3103	0.5091
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0073	0.0486	0.0778
Brugia malayi	Rhodanese-like domain containing protein	0.0063	0.0396	0.0388
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0055	0.0326	0.0318
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0042	0.021	0.0203
Leishmania major	hypothetical protein, conserved	0.003	0.0105	0.013
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0123	0.0936	0.1536
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0123	0.0936	0.1543
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0132	0.0216
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0089	0.0636	0.0628
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0597	0.6268
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0042	0.021	0.0345
Schistosoma mansoni	carbonic anhydrase-related	0.0055	0.0326	0.0535
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0089	0.0636	0.1043
Brugia malayi	hypothetical protein	0.0047	0.0256	0.0248
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.021	0.0345
Echinococcus multilocularis	carbonic anhydrase	0.0055	0.0326	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0396	0.0396
Loa Loa (eye worm)	TAR-binding protein	0.007	0.0463	0.0463
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0395	0.3391	0.5564
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0097	0.0097
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0073	0.0073
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0042	0.021	0.2447
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0089	0.0636	0.1043
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0355	0.303	0.3024
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0089	0.0636	0.1043
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0089	0.0636	0.1043
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0055	0.0326	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.0395	0.3391	0.5564
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0132	0.0216
Echinococcus granulosus	intermediate filament protein	0.0027	0.0073	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0326	0.0326
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0089	0.0636	0.1043
Schistosoma mansoni	carbonic anhydrase-related	0.0055	0.0326	0.0535
Loa Loa (eye worm)	hypothetical protein	0.1127	1	1
Brugia malayi	RNA binding protein	0.007	0.0463	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0055	0.0326	0.0535
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0089	0.0636	0.1043
Brugia malayi	steroid hormone receptor	0.0089	0.0636	0.0628
Brugia malayi	conserved hypotetical protein	0.0042	0.021	0.0203
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0089	0.0636	0.1043
Loa Loa (eye worm)	DR-78	0.0042	0.021	0.021
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0073	0.0486	0.0778
Brugia malayi	follicle stimulating hormone receptor	0.0257	0.2152	0.2146
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.0463	0.0463
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0063	0.0396	0.1384
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0123	0.0936	1
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0674	0.5908	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0463	0.076
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0482	0.0482
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.003	0.0097	0.0116
Brugia malayi	nuclear hormone receptor family member odr-7	0.0042	0.021	0.0203
Brugia malayi	orphan nuclear receptor NR2E1	0.0042	0.021	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0674	0.5908	0.5908
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0355	0.303	0.303
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0674	0.5908	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0089	0.0636	0.0636
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0108	0.0801	0.6622
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0463	0.076
Echinococcus multilocularis	musashi	0.0027	0.0073	0.0119
Echinococcus multilocularis	tumor protein p63	0.0385	0.3302	0.5418
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0636	0.0636
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0063	0.0396	0.1384
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0029	0.0047
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0089	0.0636	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0089	0.0636	0.1043
Plasmodium falciparum	carbonic anhydrase	0.0055	0.0326	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0042	0.021	0.021
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0029	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.0683	0.7211
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0106	0.0783	0.0776
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0089	0.0636	0.1043
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0089	0.0636	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Brugia malayi	Nuclear hormone receptor E75	0.0042	0.021	0.0203
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0355	0.303	0.497
Brugia malayi	MH2 domain containing protein	0.0144	0.1131	0.1124
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0256	0.0256
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0108	0.0801	0.0794
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0108	0.0801	0.1314
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0089	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0256	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0256	0.0256
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0188	0.0308
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0108	0.0801	0.1315
Schistosoma mansoni	nuclear receptor nhr-48	0.0042	0.021	0.0345
Brugia malayi	Rhodanese-like domain containing protein	0.0063	0.0396	0.0388
Echinococcus granulosus	ecdysone induced protein 78C	0.0089	0.0636	0.1043
Echinococcus multilocularis	carbonic anhydrase	0.0055	0.0326	0.0535
Schistosoma mansoni	hypothetical protein	0.0023	0.0036	0.0058
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0316	0.2682	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0316	0.2682	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0089	0.0636	0.1043
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0042	0.021	0.0345
Echinococcus granulosus	FTZ F1 alpha	0.0089	0.0636	0.1043
Echinococcus multilocularis	microtubule associated protein 2	0.0694	0.6095	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0597	0.6268
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0073	0.0486	0.0479
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0123	0.0936	0.1536
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0597	0.6268
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0132	0.0216
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0106	0.0783	0.0783
Echinococcus granulosus	lamin	0.0027	0.0073	0.0119
Schistosoma mansoni	lamin	0.0027	0.0073	0.0119
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0073	0.0486	0.0798
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0073	0.0486	0.0778
Onchocerca volvulus		0.0089	0.0636	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.0072	0.0482	0.079
Echinococcus multilocularis	carbonic anhydrase II	0.0055	0.0326	0.0535
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0132	0.0216
Giardia lamblia	Hypothetical protein	0.0108	0.0801	0.2912
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0042	0.021	0.0345
Entamoeba histolytica	rodhanase-like domain containing protein	0.0063	0.0396	0.3146
Schistosoma mansoni	microtubule-associated protein tau	0.0694	0.6095	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0055	0.0089
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0029	0.0021
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0277	0.2333	0.3827
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0132	0.0216
Schistosoma mansoni	aldehyde dehydrogenase	0.0123	0.0936	0.1536
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.0683	1
Toxoplasma gondii	hypothetical protein	0.0055	0.0326	0.2657
Echinococcus granulosus	carbonic anhydrase II	0.0055	0.0326	0.0535
Leishmania major	silent information regulator 2, putative	0.0108	0.0801	0.1314
Echinococcus granulosus	carbonic anhydrase	0.0055	0.0326	0.0535
Loa Loa (eye worm)	nuclear hormone receptor	0.0042	0.021	0.021
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0257	0.2152	0.2152
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0235	0.0235
Brugia malayi	PHD-finger family protein	0.0027	0.0078	0.007
Leishmania major	cytochrome p450-like protein	0.003	0.0097	0.0116
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0089	0.0636	0.0636
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0355	0.303	0.497
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.0033	0.0132	0.0216
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0597	0.6268
Schistosoma mansoni	zinc finger protein	0.0042	0.021	0.0345
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1131	0.1131
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0055	0.0326	0.0505
Onchocerca volvulus	Protein ultraspiracle homolog	0.0089	0.0636	1
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.0097	0.0116
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0047	0.0256	0.042
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0108	0.0801	0.6622
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.0097	0.0116
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0089	0.0636	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0533	0.0533
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0463	0.076
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0029	0.0047
Schistosoma mansoni	carbonic anhydrase	0.0055	0.0326	0.0535
Schistosoma mansoni	nuclear receptor	0.0042	0.021	0.0345
Schistosoma mansoni	coup transcription factor	0.0089	0.0636	0.1043
Echinococcus granulosus	chromatin regulatory protein sir2	0.0108	0.0801	0.1315
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0089	0.0636	0.0628
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0036	0.0036
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0316	0.2682	1
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0063	0.0396	0.1384
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0783	0.0783
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0132	0.0124
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0089	0.0636	0.0628
Brugia malayi	CHE-14 protein	0.0277	0.2333	0.2327
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0055	0.0326	0.0318
Echinococcus multilocularis	FTZ F1 alpha	0.0089	0.0636	0.1043
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0042	0.021	0.2447
Echinococcus granulosus	Protein patched homolog 1	0.0277	0.2333	0.3827
Brugia malayi	nuclear receptor NHR-88	0.0089	0.0636	0.0628
Trichomonas vaginalis	cdc25c, putative	0.0063	0.0396	0.1384
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0105	0.013
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0395	0.3391	0.5564
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0674	0.5908	1
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0.0006	0.0006
Schistosoma mansoni	transcription factor LCR-F1	0.0151	0.1195	0.1961
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0047	0.0256	0.0256
Echinococcus granulosus	lamin dm0	0.0027	0.0073	0.0119
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0108	0.0801	0.1315
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0254	0.0254
Brugia malayi	Cytochrome P450 family protein	0.003	0.0097	0.009
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0089	0.0636	0.1043
Onchocerca volvulus		0.0063	0.0396	0.5743
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0089	0.0636	0.0628
Mycobacterium ulcerans	hydrolase/amidase	0.059	0.5157	0.8724
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.0683	0.7211
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0073	0.0486	0.3921
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0326	0.0326
Schistosoma mansoni	hypothetical protein	0.0033	0.0132	0.0216
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0132	0.0124
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0089	0.0636	0.0628
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0063	0.0396	0.1384
Echinococcus granulosus	carbonic anhydrase	0.0055	0.0326	0.0535
Echinococcus granulosus	nuclear receptor nhr 48	0.0042	0.021	0.0345
Schistosoma mansoni	patched 1	0.0277	0.2333	0.3827
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0636	0.0636
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0167	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0151	0.1195	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0396	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0256	0.0256
Schistosoma mansoni	hypothetical protein	0.0363	0.3103	0.5091
Plasmodium falciparum	glutathione reductase	0.0037	0.0167	0.279
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0089	0.0636	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0108	0.0801	0.1314
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0674	0.5908	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0073	0.0486	0.0798
Echinococcus multilocularis	zinc finger protein	0.0022	0.0025	0.0041
Onchocerca volvulus		0.0063	0.0396	0.5743
Schistosoma mansoni	hypothetical protein	0.0151	0.1195	0.1961
Trypanosoma brucei	cytochrome P450, putative	0.003	0.0097	0.0116
Onchocerca volvulus	Bile acid receptor homolog	0.0089	0.0636	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0073	0.0073
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0042	0.021	0.0345
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0055	0.0326	0.0318
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0108	0.0801	0.1315
Echinococcus granulosus	transcription factor Dp 1	0.0042	0.021	0.0345
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0167	0.279
Brugia malayi	tailless protein	0.0042	0.021	0.0203
Brugia malayi	hypothetical protein	0.0042	0.021	0.0203
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0089	0.0636	0.1043
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0055	0.0326	0.0326
Brugia malayi	nuclear receptor NHR-88	0.0042	0.021	0.0203
Schistosoma mansoni	aldehyde dehydrogenase	0.0123	0.0936	0.1536
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0108	0.0801	0.1314
Echinococcus granulosus	thyroid hormone receptor alpha	0.0042	0.021	0.0345
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1131	0.1131
Onchocerca volvulus		0.0063	0.0396	0.5743
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0089	0.0636	0.0628
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0055	0.0326	0.0326
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0097	0.0097
Brugia malayi	photoreceptor-specific nuclear receptor	0.0089	0.0636	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0636	0.0636
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0089	0.0636	0.0628
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0463	0.076
Trypanosoma brucei	trypanothione reductase	0.0037	0.0167	0.0235
Brugia malayi	hypothetical protein	0.003	0.0105	0.0097
Loa Loa (eye worm)	carbonic anhydrase 3	0.0055	0.0326	0.0326
Brugia malayi	Bromodomain containing protein	0.0042	0.0211	0.0203
Brugia malayi	hypothetical protein	0.0042	0.021	0.0203
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0047	0.0256	0.042
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0089	0.0636	0.1043
Echinococcus granulosus	sterol regulatory element binding protein	0.0277	0.2333	0.3827
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0073	0.0486	0.0778
Trichomonas vaginalis	cdc25b, putative	0.0063	0.0396	0.1384
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0042	0.021	0.0345
Echinococcus multilocularis	protein dispatched 1	0.0277	0.2333	0.3827
Schistosoma mansoni	cellular tumor antigen P53	0.0056	0.0339	0.0556
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0167	0.0167
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0171	0.0281
Brugia malayi	nuclear receptor NHR-67	0.0042	0.021	0.0203
Loa Loa (eye worm)	steroid hormone receptor	0.0089	0.0636	0.0636
Schistosoma mansoni	RAR-like nuclear receptor	0.0089	0.0636	0.1043
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0105	0.013
Schistosoma mansoni	nuclear receptor	0.0042	0.021	0.0345
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0055	0.0089
Schistosoma mansoni	retinoic acid receptor RXR	0.0089	0.0636	0.1043
Trichomonas vaginalis	conserved hypothetical protein	0.0277	0.2333	0.8684
Onchocerca volvulus		0.0056	0.0339	0.4728
Entamoeba histolytica	rodhanase-like domain containing protein	0.0063	0.0396	0.3146
Brugia malayi	hypothetical protein	0.0151	0.1195	0.1188
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0108	0.0801	0.2912
Brugia malayi	intermediate filament protein	0.0027	0.0073	0.0065
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0167	0.152
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0055	0.0326	0.0318
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0042	0.021	0.0203
Brugia malayi	nuclear hormone receptor	0.0089	0.0636	0.0628
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0171	0.0281
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0167	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0326	0.0326
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.021	0.0345
Schistosoma mansoni	bromodomain containing protein	0.007	0.0459	0.0753
Echinococcus granulosus	geminin	0.0363	0.3103	0.5091
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0029	0.0047
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0355	0.303	0.497
Echinococcus granulosus	tar DNA binding protein	0.007	0.0463	0.076
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0167	0.0235
Loa Loa (eye worm)	RNA binding protein	0.007	0.0463	0.0463
Trypanosoma brucei	carbonic anhydrase-like protein	0.0055	0.0326	0.0505
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0055	0.0326	0.0505
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0089	0.0636	0.1043
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0055	0.0326	0.0318
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0042	0.021	0.0345
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0089	0.0636	0.0636
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0089	0.0636	0.0628
Entamoeba histolytica	hypothetical protein	0.0151	0.1195	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0055	0.0326	0.0318
Loa Loa (eye worm)	hypothetical protein	0.003	0.0105	0.0105
Onchocerca volvulus		0.0063	0.0396	0.5743
Brugia malayi	ecdysone receptor	0.0042	0.021	0.0203
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0188	0.0308
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0066	0.0424	0.0695
Schistosoma mansoni	thyroid hormone receptor	0.0484	0.4197	0.6885
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0674	0.5908	1
Echinococcus multilocularis	tar DNA binding protein	0.007	0.0463	0.076
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0674	0.5908	0.9692
Echinococcus multilocularis	Niemann Pick C1 protein	0.0277	0.2333	0.3827
Brugia malayi	Steroid receptor seven-up type 2	0.0089	0.0636	0.0628
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0123	0.0936	0.1543
Echinococcus multilocularis	ecdysone induced protein 78C	0.0089	0.0636	0.1043
Leishmania major	carbonic anhydrase-like protein	0.0055	0.0326	0.0505
Onchocerca volvulus		0.0042	0.021	0.2447
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0089	0.0636	0.1043
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0029	0.0029
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0167	1
Entamoeba histolytica	hypothetical protein	0.0151	0.1195	1
Schistosoma mansoni	thyroid hormone receptor	0.0484	0.4197	0.6885
Brugia malayi	nuclear receptor RXR	0.0047	0.0256	0.0248
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0597	0.6268
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0047	0.0256	0.042
Echinococcus multilocularis	protein patched	0.0277	0.2333	0.3827
Schistosoma mansoni	lamin	0.0027	0.0073	0.0119
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0674	0.5908	0.9692
Echinococcus granulosus	Niemann Pick C1 protein	0.0277	0.2333	0.3827
Brugia malayi	hypothetical protein	0.0047	0.0256	0.0248
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0073	0.0119
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.0256	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0352	0.0352
Loa Loa (eye worm)	CYP4Cod1	0.003	0.0097	0.0097
Schistosoma mansoni	carbonic anhydrase-related	0.0055	0.0326	0.0535
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0123	0.0936	0.1543
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0063	0.0396	0.065
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0277	0.2333	0.2333
Schistosoma mansoni	hypothetical protein	0.0033	0.0132	0.0216
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0167	0.0167
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.0683	0.7211
Schistosoma mansoni	chromatin regulatory protein sir2	0.0108	0.0801	0.1315
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0089	0.0636	0.1043
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.0463	0.0456
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.0256	0.0248
Echinococcus multilocularis	transcription factor Dp 1	0.0042	0.021	0.0345
Echinococcus multilocularis	nuclear receptor nhr 48	0.0042	0.021	0.0345
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0073	0.0486	0.0486
Echinococcus granulosus	dna polymerase eta	0.0022	0.0029	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0463	0.076
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0089	0.0636	0.0628
Brugia malayi	Nuclear hormone receptor-like 1	0.0089	0.0636	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0042	0.021	0.021
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0106	0.0783	0.0776
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0042	0.021	0.0345
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0674	0.5908	0.9692
Schistosoma mansoni	chromatin regulatory protein sir2	0.0108	0.0801	0.1315
Brugia malayi	Thioredoxin reductase	0.0037	0.0167	0.0159
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0029	0.0021
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0047	0.0256	0.042
Echinococcus granulosus	carbonic anhydrase	0.0055	0.0326	0.0535
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0029	0.0047
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0089	0.0636	0.1043
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0042	0.021	0.0345
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0089	0.0636	0.1043
Trichomonas vaginalis	cdc25b, putative	0.0063	0.0396	0.1384
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0089	0.0636	0.0628
Entamoeba histolytica	rodhanase-like domain containing protein	0.0063	0.0396	0.3146
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0089	0.0636	0.0636
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0636	0.0636
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0151	0.1195	0.1961
Schistosoma mansoni	zinc finger protein	0.0022	0.0025	0.0041
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0597	0.6268
Entamoeba histolytica	hypothetical protein	0.0151	0.1195	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0042	0.021	0.0345
Loa Loa (eye worm)	transcriptional regulator	0.0108	0.0801	0.0801
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0089	0.0636	0.0636
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0029	0.0047
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0063	0.0396	0.065
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0108	0.0801	0.2912
Entamoeba histolytica	hypothetical protein	0.0151	0.1195	1
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0063	0.0396	0.1384
Echinococcus granulosus	microtubule associated protein 2	0.0694	0.6095	1
Echinococcus granulosus	zinc finger protein	0.0022	0.0025	0.0041
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0029	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0132	0.0132
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0073	0.0065
Echinococcus granulosus	GPCR family 2	0.0033	0.0132	0.0216
Leishmania major	trypanothione reductase	0.0037	0.0167	0.0235
Schistosoma mansoni	chromatin regulatory protein sir2	0.0108	0.0801	0.1315
Brugia malayi	nuclear receptor RXR	0.0042	0.021	0.0203
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0484	0.4197	0.6885
Schistosoma mansoni	hypothetical protein	0.0033	0.0132	0.0216
Echinococcus multilocularis	carbonic anhydrase	0.0055	0.0326	0.0535
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0482	0.0474
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0089	0.0636	0.0628
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0066	0.0424	0.0695
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0073	0.0073
Echinococcus multilocularis	sterol regulatory element binding protein	0.0277	0.2333	0.3827
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0123	0.0936	0.1543
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0132	0.0132
Brugia malayi	nuclear hormone receptor	0.0042	0.021	0.0203
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0063	0.0396	0.065
Echinococcus multilocularis	lamin dm0	0.0027	0.0073	0.0119
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0055	0.0326	0.0535
Echinococcus multilocularis	lamin	0.0027	0.0073	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0256	0.0256
Brugia malayi	ecdysteroid receptor	0.0089	0.0636	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0352	0.0352
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0042	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.0363	0.3103	0.5091
Brugia malayi	Cytochrome P450 family protein	0.003	0.0105	0.0097
Brugia malayi	glutathione reductase	0.0037	0.0167	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0339	0.0339
Brugia malayi	Nuclear hormone receptor E75	0.0042	0.021	0.0203
Brugia malayi	Cytochrome P450 family protein	0.003	0.0097	0.009
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0042	0.021	0.0345
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0055	0.0089
Onchocerca volvulus		0.0042	0.021	0.2447
Toxoplasma gondii	aldehyde dehydrogenase	0.0123	0.0936	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0042	0.021	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0277	0.2333	0.2333
Brugia malayi	TAR-binding protein	0.007	0.0463	0.0456
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0674	0.5908	0.5905
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0029	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0636	0.0636
Schistosoma mansoni	nuclear hormone receptor	0.0089	0.0636	0.1043
Echinococcus granulosus	tumor protein p63	0.0385	0.3302	0.5418
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0089	0.0636	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0212	0.0212

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 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)	15.8489 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 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)	29.0929 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)	35.4813 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1892096

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1539727