TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 573.745 | Formula: C33H39N3O4S
H donors: 2 H acceptors: 4 LogP: 7.63 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CCCS(=O)(=O)Nc1ccc2c(c1)N=C(c1ccc(cc1)C(=O)O)c1c(N2CC)cc2c(c1)C(C)(C)CCC2(C)C
InChi: 1S/C33H39N3O4S/c1-7-17-41(39,40)35-23-13-14-28-27(18-23)34-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)8-2)33(5,6)16-15-32(25,3)4/h9-14,18-20,35H,7-8,15-17H2,1-6H3,(H,37,38)
InChiKey: CFAJJPIHXJNECF-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	retinoid X receptor, alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	Get druggable targets OG5_130073	All targets in OG5_130073
Schistosoma mansoni	retinoic acid receptor RXR	Get druggable targets OG5_130073	All targets in OG5_130073
Echinococcus granulosus	retinoic acid receptor rxr beta a	Get druggable targets OG5_130073	All targets in OG5_130073
Schistosoma japonicum	ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative	Get druggable targets OG5_130073	All targets in OG5_130073

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	ecdysteroid receptor	retinoid X receptor, alpha	435 aa	352 aa	23.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	ketoacyl reductase	0.0058	0.3931	1
Entamoeba histolytica	short chain dehydrogenase family protein	0.0058	0.3931	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0058	0.3931	0.5
Onchocerca volvulus		0.0058	0.3931	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Plasmodium vivax	steroid dehydrogenase, putative	0.0058	0.3931	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0058	0.3931	1
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0058	0.3931	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0058	0.3931	0.5
Entamoeba histolytica	hypothetical protein	0.0058	0.3931	0.5
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Echinococcus multilocularis	transient receptor potential cation channel	0.0058	0.3931	0.4102
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Leishmania major	quinonoid dihydropteridine reductase	0.0058	0.3931	1
Echinococcus multilocularis	carbonyl reductase 1	0.0058	0.3931	0.4102
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.3931	0.3931
Echinococcus multilocularis	steroid dehydrogenase	0.0058	0.3931	0.4102
Leishmania major	hypothetical protein, conserved	0.0058	0.3931	1
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Echinococcus multilocularis	conserved hypothetical protein	0.0058	0.3931	0.4102
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0058	0.3931	1
Echinococcus granulosus	steroid dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0058	0.3931	0.3931
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Giardia lamblia	Short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.01	0.7594	0.7924
Brugia malayi	hypothetical protein	0.0058	0.3931	0.5176
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.3931	1
Leishmania major	quinonoid dihydropteridine reductase	0.0058	0.3931	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0058	0.3931	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Mycobacterium ulcerans	dehydrogenase	0.0058	0.3931	1
Leishmania major	quinonoid dihydropteridine reductase	0.0058	0.3931	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0058	0.3931	1
Brugia malayi	Dehydrogenases, short chain protein 30	0.0058	0.3931	0.5176
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0058	0.3931	1
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0058	0.3931	0.4102
Echinococcus granulosus	fatty acid amide hydrolase 1	0.01	0.7594	0.7594
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0058	0.3931	1
Echinococcus granulosus	WW domain containing oxidoreductase	0.0058	0.3931	0.3931
Leishmania major	short chain dehydrogenase/reductase, putative	0.0058	0.3931	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Plasmodium falciparum	steroid dehydrogenase, putative	0.0058	0.3931	1
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0058	0.3931	0.3931
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Leishmania major	dehydrogenase-like protein	0.0058	0.3931	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0058	0.3931	0.5
Leishmania major	oxidoreductase-like protein	0.0058	0.3931	1
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0058	0.3931	0.3931
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.3931	0.4102
Mycobacterium ulcerans	short-chain dehydrogenase	0.0058	0.3931	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0058	0.3931	0.5176
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Onchocerca volvulus		0.0058	0.3931	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0058	0.3931	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.7594	1
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0058	0.3931	1
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium ulcerans	ketoacyl reductase	0.0058	0.3931	1
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0058	0.3931	1
Plasmodium vivax	hypothetical protein, conserved	0.0058	0.3931	1
Schistosoma mansoni	carbonyl reductase	0.0058	0.3931	0.3931
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0058	0.3931	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Giardia lamblia	Hypothetical protein	0.0058	0.3931	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0058	0.3931	1
Mycobacterium ulcerans	short-chain dehydrogenase	0.0058	0.3931	1
Echinococcus granulosus	carbonyl reductase 1	0.0058	0.3931	0.3931
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0058	0.3931	0.5176
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0058	0.3931	1
Brugia malayi	dehydrogenases, short chain protein 2	0.0058	0.3931	0.5176
Leishmania major	hypothetical protein, conserved	0.0058	0.3931	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0058	0.3931	1
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0058	0.3931	0.3931
Leishmania major	quinonoid dihydropteridine reductase	0.0058	0.3931	1
Echinococcus granulosus	hypothetical protein	0.0058	0.3931	0.3931
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Onchocerca volvulus		0.0058	0.3931	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Onchocerca volvulus		0.0058	0.3931	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0058	0.3931	0.5
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0058	0.3931	0.4102
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0058	0.3931	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0058	0.3931	0.5176
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0058	0.3931	1
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0058	0.3931	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0058	0.3931	1
Toxoplasma gondii	carbonyl reductase 1, putative	0.0058	0.3931	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Giardia lamblia	Reductase, putative	0.0058	0.3931	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0058	0.3931	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.3931	1
Echinococcus granulosus	carbonyl reductase 1	0.0058	0.3931	0.3931
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0058	0.3931	1
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0058	0.3931	0.4102
Toxoplasma gondii	oxidoreductase, putative	0.0058	0.3931	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0058	0.3931	1
Leishmania major	pteridine reductase 1	0.0058	0.3931	1
Mycobacterium ulcerans	short-chain dehydrogenase	0.0058	0.3931	1
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0058	0.3931	1
Echinococcus granulosus	hypothetical protein	0.0058	0.3931	0.3931
Leishmania major	hypothetical protein, conserved	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0058	0.3931	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Onchocerca volvulus		0.0058	0.3931	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0058	0.3931	0.5176
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Loa Loa (eye worm)	dehydrogenase	0.0058	0.3931	0.5176
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0058	0.3931	1
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0058	0.3931	1
Onchocerca volvulus	Sepiapterin reductase homolog	0.0058	0.3931	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0058	0.3931	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.3931	1
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0058	0.3931	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0012	0	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Leishmania major	hypothetical protein, conserved	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0058	0.3931	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0128	1	1
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0058	0.3931	1
Brugia malayi	hypothetical protein	0.0058	0.3931	0.5176
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0058	0.3931	1
Echinococcus granulosus	oxidoreductase	0.0058	0.3931	0.3931
Brugia malayi	oxidoreductase	0.0058	0.3931	0.5176
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0058	0.3931	1
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0058	0.3931	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0058	0.3931	1
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Onchocerca volvulus		0.0058	0.3931	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0058	0.3931	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0058	0.3931	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0058	0.3931	0.4102
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0058	0.3931	0.5
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0058	0.3931	1
Echinococcus granulosus	carbonyl reductase 1	0.0058	0.3931	0.3931
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0058	0.3931	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0058	0.3931	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Entamoeba histolytica	short chain dehydrogenase family protein	0.0058	0.3931	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0012	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Entamoeba histolytica	hypothetical protein, conserved	0.0058	0.3931	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0058	0.3931	1
Mycobacterium ulcerans	oxidoreductase	0.0058	0.3931	1
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.01	0.7594	0.7594
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0058	0.3931	1
Trypanosoma brucei	oxidoreductase-like protein	0.0058	0.3931	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Leishmania major	short chain dehydrogenase, putative	0.0058	0.3931	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Echinococcus multilocularis	retinol dehydrogenase 13	0.0058	0.3931	0.4102
Brugia malayi	Retinol dehydrogenase 12	0.0058	0.3931	0.5176
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Onchocerca volvulus		0.0058	0.3931	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0058	0.3931	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Echinococcus granulosus	retinol dehydrogenase 11	0.0058	0.3931	0.3931
Schistosoma mansoni	short chain dehydrogenase	0.0058	0.3931	0.3931
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0058	0.3931	0.5176
Schistosoma mansoni	carbonyl reductase	0.0058	0.3931	0.3931
Echinococcus multilocularis	oxidoreductase	0.0058	0.3931	0.4102
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0058	0.3931	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0058	0.3931	1
Onchocerca volvulus		0.0058	0.3931	0.5
Onchocerca volvulus		0.0058	0.3931	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0058	0.3931	1
Leishmania major	hypothetical protein, conserved	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0058	0.3931	1
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0058	0.3931	1
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0058	0.3931	1
Echinococcus multilocularis	carbonyl reductase 1	0.0058	0.3931	0.4102
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0058	0.3931	1
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0058	0.3931	1
Mycobacterium leprae	Probable oxidoreductase	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0058	0.3931	1
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0058	0.3931	1
Echinococcus multilocularis	steroid dehydrogenase	0.0058	0.3931	0.4102
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0058	0.3931	1
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0058	0.3931	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.3931	1
Schistosoma mansoni	amidase	0.01	0.7594	0.7594
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0058	0.3931	1
Leishmania major	short chain dehydrogenase/reductase, putative	0.0058	0.3931	1
Onchocerca volvulus		0.0058	0.3931	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0058	0.3931	1
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0058	0.3931	0.3931
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0058	0.3931	1
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0058	0.3931	0.5176
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Schistosoma mansoni	carbonyl reductase	0.0058	0.3931	0.3931
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Onchocerca volvulus		0.0058	0.3931	0.5
Mycobacterium ulcerans	oxidoreductase	0.0058	0.3931	1
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Schistosoma mansoni	retinal dehydrogenase	0.0058	0.3931	0.3931
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.01	0.7594	0.7924
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0058	0.3931	1
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0058	0.3931	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0058	0.3931	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0058	0.3931	0.5
Leishmania major	3-keto-dihydrosphingosine reductase	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0058	0.3931	0.3931
Mycobacterium ulcerans	ketoacyl reductase	0.0058	0.3931	1
Echinococcus granulosus	carbonyl reductase 1	0.0058	0.3931	0.3931
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0058	0.3931	1
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0058	0.3931	0.5
Onchocerca volvulus		0.0058	0.3931	0.5
Onchocerca volvulus		0.0058	0.3931	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0058	0.3931	1
Echinococcus multilocularis	carbonyl reductase 1	0.0058	0.3931	0.4102
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0123	0.9584	1
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0058	0.3931	1
Schistosoma mansoni	steroid dehydrogenase	0.0058	0.3931	0.3931
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0058	0.3931	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0058	0.3931	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Echinococcus multilocularis	retinol dehydrogenase 11	0.0058	0.3931	0.4102
Mycobacterium ulcerans	short chain dehydrogenase	0.0058	0.3931	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.3931	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0058	0.3931	1
Leishmania major	short chain dehydrogenase, putative	0.0058	0.3931	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3931	0.5176
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.3931	1
Loa Loa (eye worm)	dehydrogenase	0.0058	0.3931	0.5176
Echinococcus multilocularis	carbonyl reductase 1	0.0058	0.3931	0.4102
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5
Schistosoma mansoni	fatty-acid amide hydrolase	0.01	0.7594	0.7594
Loa Loa (eye worm)	oxidoreductase	0.0058	0.3931	0.5176
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0058	0.3931	1
Echinococcus granulosus	retinol dehydrogenase 11	0.0058	0.3931	0.3931
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0058	0.3931	0.3931
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0058	0.3931	0.5176
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0058	0.3931	0.5
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0058	0.3931	0.4102
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0058	0.3931	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.3931	1
Brugia malayi	amidase	0.01	0.7594	1
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0058	0.3931	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0058	0.3931	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0058	0.3931	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.34 uM	Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation	ChEMBL.	17651969
IC50 (functional)	= 0.34 uM	Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation	ChEMBL.	17651969
IC50 (functional)	= 0.57 uM	Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation	ChEMBL.	17651969
IC50 (functional)	= 0.57 uM	Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation	ChEMBL.	17651969

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: CHEMBL391309

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 443807