TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 394.935 | Formula: C21H31ClN2O3
H donors: 0 H acceptors: 2 LogP: 3.78 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCOc1ccc(c(c1)Cl)C(=O)CCN1CCN(CC1)C(=O)C
InChi: 1S/C21H31ClN2O3/c1-3-4-5-6-15-27-18-7-8-19(20(22)16-18)21(26)9-10-23-11-13-24(14-12-23)17(2)25/h7-8,16H,3-6,9-15H2,1-2H3
InChiKey: ILRPXOVXKMQNNC-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	thyroid hormone receptor, beta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	lamin	0.0027	0.0487	0.0487
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0126	0.0122
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0126	0.0126
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0126	0.0122
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.1316	0.7356
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0213	0.0213
Brugia malayi	ecdysteroid receptor	0.0012	0.0126	0.0122
Plasmodium falciparum	nicotinate phosphoribosyltransferase, putative	0.0076	0.1712	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0217	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0212
Schistosoma mansoni	hypothetical protein	0.0016	0.0217	0.0217
Schistosoma mansoni	lamin	0.0027	0.0487	0.0487
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.1316	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0213	0.0208
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0126	0.0126
Onchocerca volvulus		0.0027	0.0487	0.1706
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0126	0.0126
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0047	0.0043
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0043	0.0039
Echinococcus granulosus	dnaJ subfamily B	0.0407	0.9868	0.9868
Brugia malayi	Smad1	0.0016	0.0227	0.0222
Schistosoma mansoni	importin beta-1	0.003	0.0559	0.0559
Brugia malayi	hypothetical protein	0.0122	0.2833	0.283
Schistosoma mansoni	hypothetical protein	0.0016	0.0217	0.0217
Schistosoma mansoni	hypothetical protein	0.0407	0.9868	0.9868
Trypanosoma cruzi	nicotinate phosphoribosyltransferase, putative	0.0076	0.1712	1
Echinococcus multilocularis	musashi	0.0027	0.0487	0.0487
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1316	0.5
Brugia malayi	RNA, U transporter 1	0.0085	0.1912	0.1908
Onchocerca volvulus	Huntingtin homolog	0.0122	0.2833	1
Echinococcus multilocularis	cpg binding protein	0.003	0.057	0.057
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0126	0.0126
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0227	0.0227
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0126	0.0122
Brugia malayi	MH1 domain containing protein	0.0016	0.0227	0.0222
Schistosoma mansoni	hypothetical protein	0.0171	0.4035	0.4035
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.018	0.0175
Entamoeba histolytica	nicotinate phosphoribosyltransferase, putative	0.0076	0.1712	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0122
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0126	0.0122
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0217	0.0217
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0487	0.0483
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0126	0.0126
Echinococcus granulosus	lamin dm0	0.0027	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0122
Loa Loa (eye worm)	hypothetical protein	0.005	0.1063	0.1059
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0227	0.0227
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.388	0.388
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0126	0.043
Echinococcus granulosus	importin subunit beta 1	0.003	0.0559	0.0559
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0126	0.0122
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1316	0.1316
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.1316	0.1316
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0144	0.0144
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.004	0.0036
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1063	0.1059
Schistosoma mansoni	cpg binding protein	0.003	0.057	0.057
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0126	0.0126
Echinococcus granulosus	smad	0.0016	0.0227	0.0227
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0227	0.0227
Echinococcus granulosus	snurportin 1	0.0317	0.7659	0.7659
Brugia malayi	steroid hormone receptor	0.0012	0.0126	0.0122
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0126	0.0122
Leishmania major	nicotinate phosphoribosyltransferase, putative	0.0076	0.1712	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0126	0.0126
Schistosoma mansoni	nicotinate phosphoribosyltransferase	0.0076	0.1712	0.1712
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0559	0.3137
Schistosoma mansoni	hypothetical protein	0.0016	0.0217	0.0217
Schistosoma mansoni	hypothetical protein	0.0152	0.3578	0.3578
Mycobacterium tuberculosis	Nicotinic acid phosphoribosyltransferase PncB2	0.0076	0.1712	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0126	0.0122
Brugia malayi	Importin beta-1 subunit	0.003	0.0559	0.0555
Echinococcus multilocularis	snurportin 1	0.0317	0.7659	0.7659
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0126	0.0122
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0126	0.0122
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0126	0.0126
Echinococcus granulosus	mothers against decapentaplegic 6	0.0007	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0126	0.0122
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0126	0.043
Schistosoma mansoni	nicotinate phosphoribosyltransferase related pre-B cell enhancing factor	0.0412	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0132	0.0128
Plasmodium vivax	importin-beta 2, putative	0.003	0.0559	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.053	0.0526
Brugia malayi	MH2 domain containing protein	0.0239	0.5722	0.572
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0126	0.0126
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0217	0.0212
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0126	0.0126
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1316	0.5
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0213	0.0213
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0144	0.0144
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0213	0.0208
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0126	0.0126
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.1161	0.8595
Plasmodium falciparum	importin beta, putative	0.003	0.0559	0.2307
Echinococcus granulosus	Smad4	0.0016	0.0227	0.0227
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0126	0.0122
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.3578	0.3578
Schistosoma mansoni	lamin	0.0027	0.0487	0.0487
Onchocerca volvulus		0.0027	0.0487	0.1706
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0126	0.0126
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0559	0.0559
Schistosoma mansoni	Smad4	0.0016	0.0227	0.0227
Brugia malayi	MH2 domain containing protein	0.0016	0.0227	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2833	0.283
Echinococcus granulosus	intermediate filament protein	0.0027	0.0487	0.0487
Brugia malayi	MH2 domain containing protein	0.0016	0.0227	0.0222
Loa Loa (eye worm)	nuclear factor I	0.0009	0.0047	0.0043
Trichomonas vaginalis	nicotinate phosphoribosyltransferase, putative	0.0076	0.1712	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1316	0.5
Schistosoma mansoni	smad	0.0016	0.0227	0.0227
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0164	0.388	0.388
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0217	0.0212
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0217	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0671	0.0667
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0126	0.0122
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0213	0.0208
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0126	0.0126
Brugia malayi	intermediate filament protein	0.0027	0.0487	0.0483
Loa Loa (eye worm)	hypothetical protein	0.003	0.0559	0.0555
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0126	0.0122
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0213	0.0213
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0171	0.4035	0.4035
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0317	0.7659	0.7658
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0487	0.0487
Mycobacterium tuberculosis	Nicotinic acid phosphoribosyltransferase PncB1	0.0076	0.1712	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0487	0.0483
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0122
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1063	0.1059
Echinococcus multilocularis	nicotinamide phosphoribosyltransferase	0.0412	1	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0213	0.0213
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0227	0.0227
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0007	0.0004	0.0004
Echinococcus multilocularis	smad	0.0016	0.0227	0.0227
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0126	0.0126
Echinococcus granulosus	nicotinamide phosphoribosyltransferase	0.0412	1	1
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0227	0.0227
Leishmania major	importin beta-1 subunit, putative	0.0024	0.042	0.1382
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0126	0.043
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0126	0.0126
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0227	0.0222
Loa Loa (eye worm)	Smad1	0.0016	0.0227	0.0222
Brugia malayi	MH1 domain containing protein	0.0009	0.0047	0.0043
Echinococcus multilocularis	Smad4	0.0016	0.0227	0.0227
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0126	0.0126
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.388	0.388
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0126	0.0126
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0213	0.0213
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0126	0.0126
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.3578	0.3578
Echinococcus multilocularis	lamin dm0	0.0027	0.0487	0.0487
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.018	0.0175
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0217	0.0212
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0487	0.0483
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0126	0.0126
Schistosoma mansoni	cpg binding protein	0.003	0.057	0.057
Loa Loa (eye worm)	pre-B cell enhancing factor	0.0412	1	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2833	0.283
Onchocerca volvulus	Huntingtin homolog	0.0122	0.2833	1
Brugia malayi	MH1 domain containing protein	0.0016	0.0227	0.0222
Loa Loa (eye worm)	transcription factor SMAD2	0.0239	0.5722	0.572
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0122
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0126	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0122
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.1321	0.1321
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0126	0.0122
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0126	0.0122
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0126	0.0122
Schistosoma mansoni	coup transcription factor	0.0012	0.0126	0.0126
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1063	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0144	0.014
Schistosoma mansoni	smad	0.0007	0.0004	0.0004
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0559	0.2307
Brugia malayi	nuclear hormone receptor	0.0012	0.0126	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0122
Echinococcus multilocularis	geminin	0.0171	0.4035	0.4035
Schistosoma mansoni	hypothetical protein	0.0317	0.7659	0.7659
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0043	0.0043
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0126	0.0126
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1316	0.1316
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0559	0.2307
Onchocerca volvulus		0.0012	0.0126	0.043
Schistosoma mansoni	hypothetical protein	0.0016	0.0217	0.0217
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0126	0.0122
Treponema pallidum	nicotinate phosphoribosyltransferase	0.0076	0.1712	0.5
Echinococcus granulosus	GPCR family 2	0.0016	0.0217	0.0217
Echinococcus granulosus	cpg binding protein	0.003	0.057	0.057
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0475	0.0471
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0227	0.0227
Echinococcus granulosus	lamin	0.0027	0.0487	0.0487
Brugia malayi	CXXC zinc finger family protein	0.0029	0.053	0.0526
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0227	0.0222
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0126	0.0122
Echinococcus granulosus	geminin	0.0171	0.4035	0.4035
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0126	0.0122
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0126	0.0126
Schistosoma mansoni	cpg binding protein	0.0029	0.053	0.053
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0671	0.0667
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0132	0.0128
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0126	0.0122
Schistosoma mansoni	Smad4	0.0007	0.0004	0.0004
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0126	0.0126
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.042	0.1382
Schistosoma mansoni	nicotinate phosphoribosyltransferase related pre-B cell enhancing factor	0.0076	0.1712	0.1712
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0126	0.0122
Schistosoma mansoni	hypothetical protein	0.0034	0.0671	0.0671
Trypanosoma brucei	nicotinate phosphoribosyltransferase, putative	0.0076	0.1712	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0126	0.0122
Onchocerca volvulus		0.0029	0.053	0.1858
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0213	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0122
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0126	0.0122
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0217	0.0217
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.1316	0.7356
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0213	0.0213
Brugia malayi	MH1 domain containing protein	0.0009	0.0047	0.0043
Echinococcus granulosus	mothers against decapentaplegic 2	0.0007	0.0004	0.0004
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.1316	0.1316
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0487	0.0483
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0007	0.0004	0.0004
Loa Loa (eye worm)	MH2 domain-containing protein	0.0239	0.5722	0.572
Schistosoma mansoni	Smad4	0.0007	0.0004	0.0004
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0126	0.0126
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0217	0.0217
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0126	0.0122
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0126	0.0126
Echinococcus multilocularis	dnaJ subfamily B	0.0407	0.9868	0.9868

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 43 uM	Cytotoxicity against human HepG2 cells after 48 hrs by luminescence cell viability assay	ChEMBL.	19469546
IC50 (binding)	= 1.2 uM	Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay	ChEMBL.	19469546
Inhibition (binding)		Inhibition of human ERG expressed in HEK293 cells assessed as blockade of KCl-stimulated depolarization relative to terfenadine	ChEMBL.	19469546

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.

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External resources for this compound

ChEMBL: CHEMBL551778

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1048377