TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 254.256 | Formula: C16H11FO2
H donors: 2 H acceptors: 2 LogP: 4.19 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(c(c1)F)c1ccc2c(c1)cccc2O
InChi: 1S/C16H11FO2/c17-15-9-12(18)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)19/h1-9,18-19H
InChiKey: ZNZGPFWQDDQBEJ-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

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
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	hydroxysteroid (17-beta) dehydrogenase 2	387 aa	359 aa	24.8 %
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	hydroxysteroid (17-beta) dehydrogenase 1	328 aa	265 aa	27.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0009	0.7374	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0009	0.7374	0.7374
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Mycobacterium ulcerans	oxidoreductase	0.0009	0.7374	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0009	0.7374	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0009	0.7374	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Echinococcus granulosus	WW domain containing oxidoreductase	0.0009	0.7374	0.7374
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.7374	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	1	1
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	1	1
Leishmania major	short chain dehydrogenase/reductase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.7374	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.7374	0.7374
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	1	1
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0009	0.7374	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0009	0.7374	0.5
Echinococcus granulosus	hypothetical protein	0.0009	0.7374	0.7374
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	1	1
Mycobacterium leprae	Probable oxidoreductase	0.0009	0.7374	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Echinococcus multilocularis	oxidoreductase	0.0009	0.7374	0.7374
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Leishmania major	hypothetical protein, conserved	0.0009	0.7374	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.7374	0.7374
Echinococcus multilocularis	FTZ F1 alpha	0.0011	1	1
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0009	0.7374	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.7374	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0009	0.7374	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	1	1
Schistosoma mansoni	carbonyl reductase	0.0009	0.7374	0.7374
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	1	1
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0009	0.7374	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Schistosoma mansoni	coup transcription factor	0.0011	1	1
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0009	0.7374	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.7374	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	1	1
Giardia lamblia	Short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.7374	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	1	1
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0009	0.7374	0.7374
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.7374	0.7374
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0009	0.7374	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	1	1
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Echinococcus multilocularis	retinol dehydrogenase 11	0.0009	0.7374	0.7374
Mycobacterium ulcerans	dehydrogenase/reductase	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.7374	0.5
Giardia lamblia	Hypothetical protein	0.0009	0.7374	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0011	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	1	1
Echinococcus multilocularis	steroid dehydrogenase	0.0009	0.7374	0.7374
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0009	0.7374	0.7374
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.7374	0.7374
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0009	0.7374	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	1	1
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.7374	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	1	1
Brugia malayi	nuclear receptor NHR-88	0.0011	1	1
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0009	0.7374	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	1	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0009	0.7374	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	1	1
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0009	0.7374	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0009	0.7374	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.7374	0.7374
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0011	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	1	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Entamoeba histolytica	hypothetical protein	0.0009	0.7374	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0009	0.7374	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0011	1	1
Echinococcus multilocularis	steroid dehydrogenase	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0009	0.7374	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.7374	0.5
Brugia malayi	steroid hormone receptor	0.0011	1	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Echinococcus multilocularis	conserved hypothetical protein	0.0009	0.7374	0.7374
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.5
Leishmania major	short chain dehydrogenase, putative	0.0009	0.7374	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0009	0.7374	0.5
Leishmania major	pteridine reductase 1	0.0009	0.7374	0.5
Echinococcus multilocularis	retinol dehydrogenase 13	0.0009	0.7374	0.7374
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.7374	0.5
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0009	0.7374	0.7374
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	1	1
Schistosoma mansoni	carbonyl reductase	0.0009	0.7374	0.7374
Leishmania major	hypothetical protein, conserved	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0009	0.7374	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0009	0.7374	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	1	1
Brugia malayi	hypothetical protein	0.0009	0.7374	0.7374
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.7374	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0009	0.7374	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0009	0.7374	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	1	1
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0009	0.7374	0.7374
Loa Loa (eye worm)	dehydrogenase	0.0009	0.7374	0.7374
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0009	0.7374	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0009	0.7374	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	1	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0009	0.7374	0.5
Brugia malayi	dehydrogenases, short chain protein 2	0.0009	0.7374	0.7374
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0009	0.7374	0.7374
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	1	1
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0009	0.7374	0.5
Leishmania major	short chain dehydrogenase, putative	0.0009	0.7374	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	1	1
Toxoplasma gondii	carbonyl reductase 1, putative	0.0009	0.7374	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0009	0.7374	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.7374	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.7374	0.5
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0009	0.7374	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	1	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0009	0.7374	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Leishmania major	dehydrogenase-like protein	0.0009	0.7374	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0009	0.7374	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	1	1
Brugia malayi	dehydrogenases, short chain protein 9	0.0009	0.7374	0.7374
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0009	0.7374	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0009	0.7374	0.7374
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium ulcerans	dehydrogenase	0.0009	0.7374	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0009	0.7374	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0011	1	1
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.7374	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0009	0.7374	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.7374	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0009	0.7374	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	1	1
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Echinococcus granulosus	oxidoreductase	0.0009	0.7374	0.7374
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.7374	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0009	0.7374	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0011	1	1
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	1	1
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	1	1
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.7374	0.5
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0009	0.7374	0.7374
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Brugia malayi	nuclear hormone receptor	0.0011	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	1	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	1	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0009	0.7374	0.7374
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	1	1
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0009	0.7374	0.7374
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	1	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0009	0.7374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	1	1
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0009	0.7374	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0009	0.7374	0.7374
Leishmania major	3-keto-dihydrosphingosine reductase	0.0009	0.7374	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0009	0.7374	0.7374
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	1	1
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0009	0.7374	0.5
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0009	0.7374	0.7374
Brugia malayi	hypothetical protein	0.0009	0.7374	0.7374
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	1	1
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0009	0.7374	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.5
Mycobacterium ulcerans	oxidoreductase	0.0009	0.7374	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0009	0.7374	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	1	1
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0009	0.7374	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Loa Loa (eye worm)	dehydrogenase	0.0009	0.7374	0.7374
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	1	1
Brugia malayi	Retinol dehydrogenase 12	0.0009	0.7374	0.7374
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0009	0.7374	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.7374	0.5
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0009	0.7374	0.7374
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.7374	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0009	0.7374	0.7374
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.7374	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.7374	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0009	0.7374	0.7374
Echinococcus multilocularis	retinol dehydrogenase 11	0.0009	0.7374	0.7374
Loa Loa (eye worm)	steroid hormone receptor	0.0011	1	1
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.7374	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.7374	0.7374
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	1	1
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0009	0.7374	0.5
Leishmania major	oxidoreductase-like protein	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0009	0.7374	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0009	0.7374	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Schistosoma mansoni	carbonyl reductase	0.0009	0.7374	0.7374
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Schistosoma mansoni	thyroid hormone receptor	0.0011	1	1
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0009	0.7374	0.7374
Brugia malayi	Dehydrogenases, short chain protein 30	0.0009	0.7374	0.7374
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Echinococcus granulosus	steroid dehydrogenase	0.0009	0.7374	0.7374
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	1	1
Giardia lamblia	Reductase, putative	0.0009	0.7374	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	1	1
Entamoeba histolytica	short chain dehydrogenase family protein	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Schistosoma mansoni	retinal dehydrogenase	0.0009	0.7374	0.7374
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	1	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.7374	0.5
Onchocerca volvulus		0.0011	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0009	0.7374	0.7374
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Echinococcus granulosus	hypothetical protein	0.0009	0.7374	0.7374
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.7374	0.7374
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0009	0.7374	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.7374	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0009	0.7374	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.7374	0.5
Brugia malayi	oxidoreductase	0.0009	0.7374	0.7374
Loa Loa (eye worm)	oxidoreductase	0.0009	0.7374	0.7374
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0009	0.7374	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	1	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.7374	0.7374
Loa Loa (eye worm)	hypothetical protein	0.0011	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.7374	0.7374
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	1	1
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.7374	0.7374
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.7374	0.7374
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.7374	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	< 0.1 %	Displacement of [3H]E2 from human recombinant ERbeta by liquid scintillation counting relative to E2	ChEMBL.	21972996
Activity (binding)	< 0.1 %	Displacement of [3H]E2 from human recombinant ERalpha by liquid scintillation counting relative to E2	ChEMBL.	21972996
IC50 (binding)	= 132 nM	Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis	ChEMBL.	21972996
IC50 (binding)	= 1227 nM	Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis	ChEMBL.	21972996
IC50 (binding)	= 2245 nM	Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis	ChEMBL.	21972996
Inhibition (binding)	= 36 %	Inhibition of human placental cytosolic 17beta-HSD1 at 1 uM by HPLC analysis	ChEMBL.	21972996
Inhibition (binding)	= 87 %	Inhibition of human placental microsomal 17beta-HSD2 at 1 uM by HPLC analysis	ChEMBL.	21972996

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: CHEMBL1917889

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1564464