TDR Targets

Basic information

Technical information

TDR Targets ID: 517414
Name: 6,7-dimethoxy-1-pyridin-2-yl-1,2,3,4-tetrahyd roisoquinoline
MW: 270.326 | Formula: C16H18N2O2
H donors: 1 H acceptors: 1 LogP: 1.93 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)CCNC2c1ccccn1
InChi: 1S/C16H18N2O2/c1-19-14-9-11-6-8-18-16(12(11)10-15(14)20-2)13-5-3-4-7-17-13/h3-5,7,9-10,16,18H,6,8H2,1-2H3
InChiKey: RWXDVZUKIZXXAM-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

6,7-dimethoxy-1-(2-pyridyl)-1,2,3,4-tetrahydroisoquinoline
Oprea1_483935

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.5	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0004	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.5	0.5
Leishmania major	oxidoreductase-like protein	0.0004	0.5	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0004	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0004	0.5	0.5
Leishmania major	pteridine reductase 1	0.0004	0.5	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0004	0.5	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0004	0.5	0.5
Brugia malayi	Retinol dehydrogenase 12	0.0004	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Loa Loa (eye worm)	dehydrogenase	0.0004	0.5	0.5
Toxoplasma gondii	carbonyl reductase 1, putative	0.0004	0.5	0.5
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0004	0.5	0.5
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Echinococcus multilocularis	conserved hypothetical protein	0.0004	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.5	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0004	0.5	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0004	0.5	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0004	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0004	0.5	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Echinococcus granulosus	WW domain containing oxidoreductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0004	0.5	0.5
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0004	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0004	0.5	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0004	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0004	0.5	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium ulcerans	oxidoreductase	0.0004	0.5	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0004	0.5	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0004	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0004	0.5	0.5
Echinococcus granulosus	hypothetical protein	0.0004	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0004	0.5	0.5
Mycobacterium ulcerans	oxidoreductase	0.0004	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Echinococcus granulosus	hypothetical protein	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.5	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0004	0.5	0.5
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0004	0.5	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0004	0.5	0.5
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0004	0.5	0.5
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0004	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.5	0.5
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0004	0.5	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0004	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0004	0.5	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0004	0.5	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Leishmania major	short chain dehydrogenase, putative	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.5	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0004	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0004	0.5	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0004	0.5	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0004	0.5	0.5
Schistosoma mansoni	retinal dehydrogenase	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0004	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0004	0.5	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0004	0.5	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0004	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.5	0.5
Entamoeba histolytica	hypothetical protein	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0004	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Echinococcus granulosus	steroid dehydrogenase	0.0004	0.5	0.5
Brugia malayi	dehydrogenases, short chain protein 2	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Giardia lamblia	Reductase, putative	0.0004	0.5	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0004	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0004	0.5	0.5
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0004	0.5	0.5
Leishmania major	short chain dehydrogenase, putative	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Leishmania major	3-keto-dihydrosphingosine reductase	0.0004	0.5	0.5
Echinococcus granulosus	oxidoreductase	0.0004	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0004	0.5	0.5
Echinococcus multilocularis	oxidoreductase	0.0004	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.5	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0004	0.5	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0004	0.5	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0004	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0004	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0004	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0004	0.5	0.5
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Leishmania major	dehydrogenase-like protein	0.0004	0.5	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0004	0.5	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0004	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 13	0.0004	0.5	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.5	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0004	0.5	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0004	0.5	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0004	0.5	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0004	0.5	0.5
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0004	0.5	0.5
Brugia malayi	hypothetical protein	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Mycobacterium ulcerans	dehydrogenase	0.0004	0.5	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0004	0.5	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0004	0.5	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Brugia malayi	hypothetical protein	0.0004	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Loa Loa (eye worm)	dehydrogenase	0.0004	0.5	0.5
Onchocerca volvulus		0.0004	0.5	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0004	0.5	0.5
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0004	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0004	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Brugia malayi	Dehydrogenases, short chain protein 30	0.0004	0.5	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0004	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0004	0.5	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0004	0.5	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0004	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.5	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0004	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.5	0.5
Giardia lamblia	Hypothetical protein	0.0004	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0004	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0004	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0004	0.5	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 444.5 uM	Cytotoxicity against human C8166 cells after 72 hrs by MTT method	ChEMBL.	18316190
CC50 (ADMET)	= 444.5 uM	Cytotoxicity against human C8166 cells after 72 hrs by MTT method	ChEMBL.	18316190
EC50 (functional)	= 171.2 uM	Antiviral activity against HIV1 3B in C8166 cells by syncytium reduction assay	ChEMBL.	18316190
Ratio CC50/EC50 (functional)	= 2.8	Selectivity index, ratio of CC50 for C8166 cells to EC50 for HIV1 3B	ChEMBL.	18316190

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: CHEMBL272712
PubChem: 5203099

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 517414