TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 323.493 | Formula: C18H29NO2S
H donors: 0 H acceptors: 1 LogP: 4.39 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCOc1ccc(cc1SC)C(=O)CCN(C)C
InChi: 1S/C18H29NO2S/c1-5-6-7-8-13-21-17-10-9-15(14-18(17)22-4)16(20)11-12-19(2)3/h9-10,14H,5-8,11-13H2,1-4H3
InChiKey: AUIGTMRTVIJXIS-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid hormone receptor, alpha	Starlite/ChEMBL	References
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
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma mansoni	thyroid hormone receptor	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
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	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 japonicum	Thyroid hormone receptor alpha, putative	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_156853	All targets in OG5_156853
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Loa Loa (eye worm)	nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	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, alpha	451 aa	372 aa	25.3 %
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
Schistosoma mansoni	coup transcription factor	0.0024	0.0468	0.0468
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0024	0.0468	0.0468
Brugia malayi	beta-lactamase family protein	0.0034	0.0718	0.0843
Schistosoma mansoni	hypothetical protein	0.0034	0.0718	0.0718
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0012	0.0149	0.0149
Brugia malayi	hypothetical protein	0.0012	0.0127	0.0107
Mycobacterium ulcerans	beta-lactamase	0.0034	0.0718	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0012	0.0149	0.5
Echinococcus multilocularis	dnaJ subfamily B	0.0385	1	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.7742	0.9953
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0081	0.197	0.8393
Mycobacterium tuberculosis	Probable esterase LipL	0.0034	0.0718	0.1056
Trichomonas vaginalis	D-aminoacylase, putative	0.0034	0.0718	1
Brugia malayi	hypothetical protein	0.0034	0.0718	0.0842
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.009	0.2209	0.3818
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Brugia malayi	steroid hormone receptor	0.0024	0.0468	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Echinococcus granulosus	ecdysone induced protein 78C	0.0024	0.0468	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0164	0.0155
Mycobacterium tuberculosis	Probable oxidoreductase	0.009	0.2209	0.3818
Echinococcus granulosus	cpg binding protein	0.0029	0.0578	0.0578
Brugia malayi	Nuclear hormone receptor E75	0.0012	0.0127	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0468	0.0549
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0127	0.0127
Echinococcus multilocularis	nuclear receptor nhr 48	0.0012	0.0127	0.0127
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0034	0.0718	1
Onchocerca volvulus	Bile acid receptor homolog	0.0024	0.0468	0.5767
Brugia malayi	beta-lactamase	0.0034	0.0718	0.0843
Brugia malayi	nuclear receptor RXR	0.0012	0.0127	0.0107
Echinococcus granulosus	beta LACTamase domain containing family member	0.0034	0.0718	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0468	0.0549
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0012	0.0149	0.0149
Onchocerca volvulus		0.0034	0.0718	1
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0127	0.0107
Brugia malayi	ecdysone receptor	0.0012	0.0127	0.0107
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0024	0.0468	0.0468
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0081	0.197	0.3374
Brugia malayi	tailless protein	0.0012	0.0127	0.0107
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0057	0.1338	0.1338
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0024	0.0468	0.0468
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0176	0.4489	0.4489
Entamoeba histolytica	hypothetical protein	0.0034	0.0718	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0164	0.0155
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0012	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0718	0.0872
Entamoeba histolytica	hypothetical protein	0.0034	0.0718	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0036	0.0764	0.0931
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0024	0.0468	0.0531
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0024	0.0468	0.0468
Schistosoma mansoni	hypothetical protein	0.0152	0.3843	0.3843
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0012	0.0127	0.0127
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0024	0.0468	0.0531
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0009	0.0062	0.0027
Toxoplasma gondii	ABC1 family protein	0.0034	0.0718	0.5544
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0468	0.0531
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0081	0.197	0.3374
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.0718	0.9262
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Trichomonas vaginalis	D-aminoacylase, putative	0.0034	0.0718	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0301	0.7778	0.9621
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0012	0.0127	0.0127
Schistosoma mansoni	thyroid hormone receptor	0.0176	0.4489	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0718	0.0872
Mycobacterium tuberculosis	Probable hydrolase	0.0034	0.0718	0.1056
Brugia malayi	orphan nuclear receptor NR2E1	0.0012	0.0127	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Brugia malayi	beta-lactamase family protein	0.0034	0.0718	0.0843
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0718	0.0872
Brugia malayi	Nuclear hormone receptor E75	0.0012	0.0127	0.0107
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0034	0.0718	0.0718
Mycobacterium tuberculosis	Conserved protein	0.0034	0.0718	0.1056
Trichomonas vaginalis	penicillin-binding protein, putative	0.0034	0.0718	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0578	0.0578
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0127	0.0127
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0024	0.0468	0.0468
Brugia malayi	nuclear receptor RXR	0.0013	0.0164	0.0153
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0034	0.0718	0.0718
Schistosoma mansoni	nuclear receptor nhr-48	0.0012	0.0127	0.0127
Plasmodium vivax	glutathione reductase, putative	0.0036	0.0764	1
Echinococcus granulosus	FTZ F1 alpha	0.0024	0.0468	0.0468
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0468	0.0531
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0024	0.0468	0.0549
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0216	0.5546	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0034	0.0718	0.1056
Brugia malayi	Steroid receptor seven-up type 2	0.0024	0.0468	0.0531
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0034	0.0718	0.0843
Mycobacterium ulcerans	hypothetical protein	0.0034	0.0718	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0468	0.0531
Schistosoma mansoni	RAR-like nuclear receptor	0.0024	0.0468	0.0468
Brugia malayi	conserved hypotetical protein	0.0012	0.0127	0.0107
Echinococcus multilocularis	cpg binding protein	0.0029	0.0578	0.0578
Trichomonas vaginalis	D-aminoacylase, putative	0.0034	0.0718	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0468	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0468	0.0549
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0027	0.0537	0.0638
Echinococcus granulosus	thyroid hormone receptor alpha	0.0012	0.0127	0.0127
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0013	0.0164	0.0164
Loa Loa (eye worm)	steroid hormone receptor	0.0024	0.0468	0.0549
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0013	0.0164	0.0164
Schistosoma mansoni	transcription factor LCR-F1	0.0034	0.0718	0.0718
Onchocerca volvulus		0.0034	0.0718	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0012	0.0127	0.0127
Onchocerca volvulus		0.0027	0.0537	0.6935
Trypanosoma brucei	hypothetical protein, conserved	0.0034	0.0718	0.9262
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0024	0.0468	0.0468
Brugia malayi	nuclear hormone receptor	0.0012	0.0127	0.0107
Trypanosoma cruzi	trypanothione reductase, putative	0.0036	0.0764	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0034	0.0718	0.1056
Trichomonas vaginalis	penicillin-binding protein, putative	0.0034	0.0718	1
Trypanosoma brucei	trypanothione reductase	0.0036	0.0764	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0468	0.0549
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0024	0.0468	0.0531
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0012	0.0127	0.0107
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0034	0.0718	0.0718
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0012	0.0127	0.0107
Onchocerca volvulus		0.0034	0.0718	1
Schistosoma mansoni	nuclear receptor	0.0012	0.0127	0.0127
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0468	0.0531
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0012	0.0149	0.0134
Brugia malayi	Nuclear hormone receptor-like 1	0.0301	0.7778	0.9621
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0034	0.0718	0.0718
Leishmania major	hypothetical protein, conserved	0.0034	0.0718	0.9262
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0044	0.0044
Brugia malayi	nuclear hormone receptor family member odr-7	0.0012	0.0127	0.0107
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0468	0.0468
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.3843	0.3843
Schistosoma mansoni	thyroid hormone receptor	0.0176	0.4489	0.4489
Brugia malayi	Thioredoxin reductase	0.0036	0.0764	0.0899
Entamoeba histolytica	hypothetical protein	0.0034	0.0718	0.5
Brugia malayi	hypothetical protein	0.0012	0.0127	0.0107
Schistosoma mansoni	cpg binding protein	0.0027	0.0537	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0024	0.0468	0.0468
Mycobacterium tuberculosis	Probable dehydrogenase	0.0081	0.197	0.3374
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0012	0.0149	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0024	0.0468	0.0531
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0081	0.197	0.3374
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0012	0.0127	0.0108
Plasmodium vivax	thioredoxin reductase, putative	0.0036	0.0764	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0012	0.0127	0.0127
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0127	0.0127
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0024	0.0468	0.0468
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0468	0.0468
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0024	0.0468	0.0468
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0024	0.0468	0.0549
Mycobacterium tuberculosis	Probable lipase LipE	0.0034	0.0718	0.1056
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0034	0.0718	0.1056
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0024	0.0468	0.0468
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0024	0.0468	0.0468
Echinococcus multilocularis	ecdysone induced protein 78C	0.0024	0.0468	0.0468
Echinococcus multilocularis	FTZ F1 alpha	0.0024	0.0468	0.0468
Toxoplasma gondii	thioredoxin reductase	0.0036	0.0764	0.5985
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0718	0.9262
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0718	0.0872
Mycobacterium ulcerans	lipase LipD	0.0034	0.0718	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0468	0.0468
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0034	0.0718	0.0718
Treponema pallidum	NADH oxidase	0.0012	0.0149	0.5
Trichomonas vaginalis	esterase, putative	0.0034	0.0718	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0012	0.0127	0.0127
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0012	0.0149	0.0149
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0012	0.0149	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0024	0.0468	0.0531
Brugia malayi	glutathione reductase	0.0036	0.0764	0.0899
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.3843	0.3843
Leishmania major	trypanothione reductase	0.0036	0.0764	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0024	0.0468	0.0468
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0012	0.0149	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0468	0.0531
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.009	0.2209	0.3818
Loa Loa (eye worm)	glutathione reductase	0.0036	0.0764	0.0931
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0301	0.7778	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0024	0.0468	0.0468
Brugia malayi	Nuclear hormone receptor-like 1	0.0312	0.8083	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0024	0.0468	0.0531
Mycobacterium ulcerans	esterase/lipase LipP	0.0034	0.0718	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0024	0.0468	0.0468
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0024	0.0468	0.0468
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0034	0.0718	0.0872
Brugia malayi	hypothetical protein	0.0013	0.0164	0.0153
Mycobacterium tuberculosis	Conserved protein	0.0034	0.0718	0.1056
Brugia malayi	CXXC zinc finger family protein	0.0027	0.0537	0.0617
Mycobacterium tuberculosis	Conserved protein	0.0034	0.0718	0.1056
Brugia malayi	hypothetical protein	0.0013	0.0164	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0024	0.0468	0.0531
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.009	0.2209	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0013	0.0164	0.0164
Schistosoma mansoni	nuclear hormone receptor	0.0024	0.0468	0.0468
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0036	0.0776	0.0776
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0012	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0164	0.0155
Plasmodium falciparum	thioredoxin reductase	0.0036	0.0764	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0024	0.0468	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0164	0.0155
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0051	0.1176	1
Loa Loa (eye worm)	DR-78	0.0012	0.0127	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0164	0.0155
Schistosoma mansoni	cpg binding protein	0.0029	0.0578	0.0578
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.0718	0.9262
Loa Loa (eye worm)	beta-lactamase	0.0034	0.0718	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Entamoeba histolytica	hypothetical protein	0.0034	0.0718	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0718	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0718	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Onchocerca volvulus	Protein ultraspiracle homolog	0.0024	0.0468	0.5767
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0024	0.0468	0.5767
Echinococcus granulosus	nuclear receptor nhr 48	0.0012	0.0127	0.0127
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0468	0.0468
Schistosoma mansoni	retinoic acid receptor RXR	0.0024	0.0468	0.0468
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0024	0.0468	0.0549
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0024	0.0468	0.0549
Schistosoma mansoni	nuclear receptor	0.0012	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Brugia malayi	nuclear receptor NHR-88	0.0024	0.0468	0.0531
Brugia malayi	nuclear receptor NHR-67	0.0012	0.0127	0.0107
Loa Loa (eye worm)	nuclear hormone receptor	0.0012	0.0127	0.0108
Mycobacterium tuberculosis	Probable reductase	0.0081	0.197	0.3374
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0012	0.0127	0.0127
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0013	0.0164	0.0164
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0036	0.0764	0.114
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0024	0.0468	0.0468
Echinococcus granulosus	thioredoxin glutathione reductase	0.0036	0.0776	0.0776
Brugia malayi	ecdysteroid receptor	0.0024	0.0468	0.0531
Brugia malayi	nuclear hormone receptor	0.0024	0.0468	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0468	0.0549
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0012	0.0127	0.0127
Plasmodium falciparum	glutathione reductase	0.0036	0.0764	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0081	0.197	0.3374
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0468	0.0549
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0024	0.0468	0.0549
Schistosoma mansoni	hypothetical protein	0.0385	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0127	0.0108
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0009	0.0062	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0468	0.0549
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0024	0.0468	0.0549
Onchocerca volvulus		0.0024	0.0468	0.5767
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0468	0.0549
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0012	0.0127	0.0108
Schistosoma mansoni	zinc finger protein	0.0012	0.0127	0.0127
Mycobacterium tuberculosis	Probable lipase LipD	0.0034	0.0718	0.1056
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0024	0.0468	0.0549

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 29 uM	Cytotoxicity against human HepG2 cells after 48 hrs by luminescence cell viability assay	ChEMBL.	19469546
IC50 (binding)	= 4.3 uM	Inhibition of SRC2 binding to TRalpha receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay	ChEMBL.	19469546
IC50 (binding)	= 5.1 uM	Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay	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.

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: CHEMBL552105

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1040685