TDR Targets

Basic information

Technical information

TDR Targets ID: 409552
Name: 2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-y l]-N-[3-(trifluoromethoxy)phenyl]acetamide
MW: 395.376 | Formula: C19H20F3N3O3
H donors: 1 H acceptors: 2 LogP: 2.56 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cccc(c1)OC(F)(F)F)CN1CCC(CC1)c1cccc[n+]1[O-]
InChi: 1S/C19H20F3N3O3/c20-19(21,22)28-16-5-3-4-15(12-16)23-18(26)13-24-10-7-14(8-11-24)17-6-1-2-9-25(17)27/h1-6,9,12,14H,7-8,10-11,13H2,(H,23,26)
InChiKey: BXFVNILYDIGYSV-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

2-[4-(1-oxidopyridin-1-ium-2-yl)-1-piperidyl]-N-[3-(trifluoromethoxy)phenyl]acetamide
2-[4-(1-oxido-2-pyridin-1-iumyl)-1-piperidinyl]-N-[3-(trifluoromethoxy)phenyl]acetamide
2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]-N-[3-(trifluoromethoxy)phenyl]ethanamide
2-[4-(1-oxidopyridin-1-ium-2-yl)piperidino]-N-[3-(trifluoromethoxy)phenyl]acetamide
2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]-N-[3-(trifluoromethoxy)phenyl]ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dopamine receptor D4	Starlite/ChEMBL	References

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

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 135 nM	Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR	ChEMBL.	17149874
EC50 (functional)	= 135 nM	Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR	ChEMBL.	17149874
Efficacy (functional)	= 51 %	Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR with relative to dopamine	ChEMBL.	17149874
Efficacy (functional)	= 51 %	Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR with relative to dopamine	ChEMBL.	17149874

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: CHEMBL218852
PubChem: 10430781

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 409552