TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 289.282 | Formula: C14H8FNO3S
H donors: 2 H acceptors: 4 LogP: 3.44 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1)sc(n2)C(=O)c1ccc(c(c1)O)F
InChi: 1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H
InChiKey: RIYCHKQKHFIRTQ-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	hydroxysteroid (17-beta) dehydrogenase 1	Starlite/ChEMBL	References
Homo sapiens	hydroxysteroid (17-beta) dehydrogenase 2	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	hydroxysteroid (17-beta) dehydrogenase 1	328 aa	265 aa	27.2 %
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	hydroxysteroid (17-beta) dehydrogenase 2	387 aa	359 aa	24.8 %
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0009	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Echinococcus granulosus	hypothetical protein	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.5	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0009	0.5	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0009	0.5	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0009	0.5	0.5
Schistosoma mansoni	retinal dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0009	0.5	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0009	0.5	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0009	0.5	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0009	0.5	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Entamoeba histolytica	hypothetical protein	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Leishmania major	oxidoreductase-like protein	0.0009	0.5	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0009	0.5	0.5
Leishmania major	pteridine reductase 1	0.0009	0.5	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0009	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0009	0.5	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0009	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Toxoplasma gondii	carbonyl reductase 1, putative	0.0009	0.5	0.5
Loa Loa (eye worm)	dehydrogenase	0.0009	0.5	0.5
Brugia malayi	Retinol dehydrogenase 12	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0009	0.5	0.5
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0009	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	conserved hypothetical protein	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0009	0.5	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0009	0.5	0.5
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0009	0.5	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0009	0.5	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0009	0.5	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Echinococcus granulosus	WW domain containing oxidoreductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0009	0.5	0.5
Echinococcus granulosus	hypothetical protein	0.0009	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0009	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.5	0.5
Mycobacterium ulcerans	oxidoreductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.5	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	oxidoreductase	0.0009	0.5	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0009	0.5	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0009	0.5	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 13	0.0009	0.5	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0009	0.5	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0009	0.5	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0009	0.5	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0009	0.5	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0009	0.5	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0009	0.5	0.5
Brugia malayi	hypothetical protein	0.0009	0.5	0.5
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0009	0.5	0.5
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Brugia malayi	Dehydrogenases, short chain protein 30	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	hypothetical protein	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Loa Loa (eye worm)	dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Giardia lamblia	Hypothetical protein	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0009	0.5	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0009	0.5	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	dehydrogenases, short chain protein 2	0.0009	0.5	0.5
Echinococcus granulosus	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Giardia lamblia	Reductase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0009	0.5	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0009	0.5	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus granulosus	oxidoreductase	0.0009	0.5	0.5
Leishmania major	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase	0.0009	0.5	0.5
Echinococcus multilocularis	oxidoreductase	0.0009	0.5	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Leishmania major	dehydrogenase-like protein	0.0009	0.5	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0009	0.5	0.5
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0009	0.5	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11 nM	Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addition measured 0.5 hrs post substrate addition	ChEMBL.	22277094
IC50 (binding)	= 13 nM	Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in presence of NADH	ChEMBL.	22277094
IC50 (binding)	= 13 nM	Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis	ChEMBL.	26322835
IC50 (binding)	= 121 nM	Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis in presence of NAD+	ChEMBL.	22277094
IC50 (ADMET)	= 1.8 uM	Inhibition of human CYP1A2	ChEMBL.	22277094
IC50 (ADMET)	= 54 uM	Inhibition of human CYP2C19	ChEMBL.	22277094
IC50 (ADMET)	= 54 uM	Inhibition of human CYP2C9	ChEMBL.	22277094
IC50 (ADMET)	= 54 uM	Inhibition of human CYP2D6	ChEMBL.	22277094
IC50 (ADMET)	= 54 uM	Inhibition of human CYP3A4	ChEMBL.	22277094
IC50 (ADMET)	= 54 uM	Inhibition of human CYP2B6	ChEMBL.	22277094
Inhibition (binding)		Inhibition of recombinant mouse 17beta HSD1 expressed in HEK293 cells using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate at 1 uM incubated for 10 mins by HPLC analysis	ChEMBL.	26322835
Inhibition (binding)	= 34 %	Inhibition of marmoset placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate at 50 nM after 20 mins by HPLC analysis in presence of NAD+	ChEMBL.	22277094
Inhibition (binding)	= 80 %	Inhibition of marmoset placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate at 5 nM after 10 mins by HPLC analysis in presence of NADH	ChEMBL.	22277094
RBA (binding)	< 1 %	Displacement of [2,4,6,7-3H]estradiol from recombinant human ERbeta after 1 hr by liquid scintillation counter relative to estradiol	ChEMBL.	22277094
RBA (binding)	< 1 %	Displacement of [2,4,6,7-3H]estradiol from recombinant human ERalpha after 1 hr by liquid scintillation counter relative to estradiol	ChEMBL.	22277094

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL2170750

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1682997