TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.51 | Formula: C24H32O2
H donors: 0 H acceptors: 1 LogP: 6 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1O[C@]2(CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3CCc3c2cccc3)CCC1(C)C
InChi: 1S/C24H32O2/c1-22(2)14-15-24(26-21(22)25)13-11-20-19-9-8-16-6-4-5-7-17(16)18(19)10-12-23(20,24)3/h4-7,18-20H,8-15H2,1-3H3/t18-,19-,20+,23+,24-/m1/s1
InChiKey: HKUHOTAJMYCHKG-PJPYIVHJSA-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	aldo-keto reductase family 1, member C3	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
Leishmania major	aldo-keto reductase-like protein	aldo-keto reductase family 1, member C3	323 aa	325 aa	34.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	steroid dehydrogenase, putative	0.0052	0.0092	1
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0052	0.0092	0.5
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0052	0.0092	0.0116
Entamoeba histolytica	hypothetical protein	0.0052	0.0092	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0052	0.0092	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0052	0.0092	0.0809
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0024	0.003
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0052	0.0092	0.0152
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Leishmania major	oxidoreductase-like protein	0.0052	0.0092	0.0152
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Echinococcus granulosus	carbonyl reductase 1	0.0052	0.0092	0.0809
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0052	0.0092	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0052	0.0092	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0052	0.0092	0.0152
Onchocerca volvulus		0.0052	0.0092	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0052	0.0092	0.0152
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0052	0.0092	0.0152
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	1
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Schistosoma mansoni	hypothetical protein	0.0186	0.0614	1
Onchocerca volvulus		0.0052	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0092	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Entamoeba histolytica	hypothetical protein, conserved	0.0052	0.0092	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0052	0.0092	0.0809
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Leishmania major	malonyl-coa decarboxylase-like protein	0.0817	0.3065	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Echinococcus multilocularis	geminin	0.0186	0.0614	1
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0052	0.0092	0.0809
Onchocerca volvulus		0.0052	0.0092	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0052	0.0092	0.0152
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Echinococcus granulosus	WW domain containing oxidoreductase	0.0052	0.0092	0.0809
Leishmania major	dehydrogenase-like protein	0.0052	0.0092	0.0152
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Entamoeba histolytica	short chain dehydrogenase family protein	0.0052	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0052	0.0092	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0052	0.0092	0.0809
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0052	0.0092	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0052	0.0092	0.0152
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0052	0.0092	0.0809
Brugia malayi	dehydrogenases, short chain protein 2	0.0052	0.0092	0.0058
Brugia malayi	Retinol dehydrogenase 12	0.0052	0.0092	0.0058
Leishmania major	pteridine reductase 1	0.0052	0.0092	0.0152
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0052	0.0092	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0052	0.0092	1
Leishmania major	hypothetical protein, conserved	0.0052	0.0092	0.0152
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Echinococcus granulosus	steroid dehydrogenase	0.0052	0.0092	0.0809
Onchocerca volvulus		0.0052	0.0092	0.5
Brugia malayi	hypothetical protein	0.0052	0.0092	0.0058
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0052	0.0092	0.0809
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0052	0.0092	1
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0052	0.0092	0.0809
Loa Loa (eye worm)	histone deacetylase 7A	0.004	0.0046	0.0058
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0052	0.0092	0.0809
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0052	0.0092	0.5
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0052	0.0092	0.0809
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0052	0.0092	0.0152
Echinococcus multilocularis	retinol dehydrogenase 13	0.0052	0.0092	0.0809
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Toxoplasma gondii	oxidoreductase, putative	0.0052	0.0092	1
Echinococcus multilocularis	carbonyl reductase 1	0.0052	0.0092	0.0809
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0092	0.0152
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	1
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.0817	0.3065	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Schistosoma mansoni	hypothetical protein	0.0186	0.0614	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0052	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0052	0.0092	0.0152
Entamoeba histolytica	hypothetical protein, conserved	0.0052	0.0092	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0052	0.0092	0.0809
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Onchocerca volvulus		0.0052	0.0092	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0052	0.0092	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0052	0.0092	0.0152
Leishmania major	short chain dehydrogenase, putative	0.0052	0.0092	0.0152
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0052	0.0092	0.0809
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.0817	0.3065	1
Giardia lamblia	Short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0092	0.0152
Schistosoma mansoni	retinal dehydrogenase	0.0052	0.0092	0.0809
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0052	0.0092	0.0058
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0052	0.0092	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0052	0.0092	0.0809
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	1
Echinococcus multilocularis	steroid dehydrogenase	0.0052	0.0092	0.0809
Brugia malayi	oxidoreductase	0.0052	0.0092	0.0058
Echinococcus granulosus	retinol dehydrogenase 11	0.0052	0.0092	0.0809
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0052	0.0092	0.0152
Onchocerca volvulus		0.0052	0.0092	0.5
Brugia malayi	Dehydrogenases, short chain protein 30	0.0052	0.0092	0.0058
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0052	0.0092	0.0152
Echinococcus multilocularis	histone deacetylase 6	0.0046	0.007	0.0417
Onchocerca volvulus		0.0052	0.0092	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0052	0.0092	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0052	0.0092	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0052	0.0092	1
Leishmania major	hypothetical protein, conserved	0.0052	0.0092	0.0152
Trypanosoma brucei	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.0817	0.3065	1
Echinococcus granulosus	histone deacetylase 6	0.0046	0.007	0.0417
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0052	0.0092	0.0809
Echinococcus multilocularis	transient receptor potential cation channel	0.0052	0.0092	0.0809
Echinococcus multilocularis	carbonyl reductase 1	0.0052	0.0092	0.0809
Brugia malayi	putative malonyl-CoA decarboxylase	0.208	0.7967	1
Onchocerca volvulus		0.0052	0.0092	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0052	0.0092	0.5
Loa Loa (eye worm)	dehydrogenase	0.0052	0.0092	0.0116
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0052	0.0092	0.0152
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0052	0.0092	0.0152
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0052	0.0092	0.0152
Toxoplasma gondii	oxidoreductase, putative	0.0052	0.0092	1
Onchocerca volvulus		0.0052	0.0092	0.5
Onchocerca volvulus		0.0052	0.0092	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0052	0.0092	0.0152
Echinococcus multilocularis	conserved hypothetical protein	0.0052	0.0092	0.0809
Onchocerca volvulus		0.0052	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Schistosoma mansoni	carbonyl reductase	0.0052	0.0092	0.0809
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0092	0.0152
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Giardia lamblia	Reductase, putative	0.0052	0.0092	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0052	0.0092	0.0809
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Toxoplasma gondii	carbonyl reductase 1, putative	0.0052	0.0092	1
Leishmania major	3-keto-dihydrosphingosine reductase	0.0052	0.0092	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Leishmania major	quinonoid dihydropteridine reductase	0.0052	0.0092	0.0152
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.0092	0.0058
Echinococcus granulosus	hypothetical protein	0.0052	0.0092	0.0809
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0052	0.0092	0.5
Onchocerca volvulus		0.0052	0.0092	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0092	0.0152
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0052	0.0092	0.0152
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0092	0.0152
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Onchocerca volvulus		0.0052	0.0092	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0052	0.0092	0.0058
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Loa Loa (eye worm)	histone deacetylase	0.004	0.0046	0.0058
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0052	0.0092	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Leishmania major	hypothetical protein, conserved	0.0052	0.0092	0.0152
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Leishmania major	quinonoid dihydropteridine reductase	0.0052	0.0092	0.0152
Echinococcus multilocularis	carbonyl reductase 1	0.0052	0.0092	0.0809
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Brugia malayi	Dehydrogenases, short chain protein 2	0.0052	0.0092	0.0058
Leishmania major	short chain dehydrogenase, putative	0.0052	0.0092	0.0152
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0052	0.0092	0.0152
Leishmania major	short chain dehydrogenase/reductase, putative	0.0052	0.0092	0.0152
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0052	0.0092	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Leishmania major	quinonoid dihydropteridine reductase	0.0052	0.0092	0.0152
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0052	0.0092	1
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0052	0.0092	0.0809
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0052	0.0092	0.0152
Schistosoma mansoni	carbonyl reductase	0.0052	0.0092	0.0809
Echinococcus granulosus	carbonyl reductase 1	0.0052	0.0092	0.0809
Echinococcus multilocularis	retinol dehydrogenase 11	0.0052	0.0092	0.0809
Echinococcus granulosus	oxidoreductase	0.0052	0.0092	0.0809
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Entamoeba histolytica	short chain dehydrogenase family protein	0.0052	0.0092	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0052	0.0092	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0052	0.0092	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0052	0.0092	0.0809
Schistosoma mansoni	histone deacetylase hda2	0.0046	0.007	0.0417
Giardia lamblia	Hypothetical protein	0.0052	0.0092	0.5
Leishmania major	hypothetical protein, conserved	0.0052	0.0092	0.0152
Echinococcus multilocularis	oxidoreductase	0.0052	0.0092	0.0809
Mycobacterium ulcerans	short chain dehydrogenase	0.2604	1	1
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0052	0.0092	0.5
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0052	0.0092	1
Echinococcus multilocularis	steroid dehydrogenase	0.0052	0.0092	0.0809
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0052	0.0092	0.0152
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0052	0.0092	0.0809
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Leishmania major	quinonoid dihydropteridine reductase	0.0052	0.0092	0.0152
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0052	0.0092	0.5
Echinococcus granulosus	geminin	0.0186	0.0614	1
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Leishmania major	short chain dehydrogenase-like protein	0.0052	0.0092	0.0152
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0052	0.0092	0.0152
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0052	0.0092	0.0152
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0052	0.0092	0.0152
Loa Loa (eye worm)	dehydrogenase	0.0052	0.0092	0.0116
Leishmania major	short chain dehydrogenase/reductase, putative	0.0052	0.0092	0.0152
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0052	0.0092	0.0152
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0052	0.0092	1
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Leishmania major	hypothetical protein, conserved	0.0052	0.0092	0.0152
Trypanosoma brucei	oxidoreductase-like protein	0.0052	0.0092	0.0152
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0052	0.0092	0.5
Schistosoma mansoni	carbonyl reductase	0.0052	0.0092	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0116
Brugia malayi	hypothetical protein	0.0052	0.0092	0.0058
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0092	0.0058
Schistosoma mansoni	steroid dehydrogenase	0.0052	0.0092	0.0809
Loa Loa (eye worm)	hypothetical protein	0.208	0.7967	1
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0052	0.0092	0.0152
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0052	0.0092	0.0058
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Wolbachia endosymbiont of Brugia malayi	malonyl-CoA decarboxylase	0.208	0.7967	1
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0052	0.0092	0.0152
Leishmania major	quinonoid dihydropteridine reductase	0.0052	0.0092	0.0152
Echinococcus granulosus	hypothetical protein	0.0052	0.0092	0.0809
Schistosoma mansoni	short chain dehydrogenase	0.0052	0.0092	0.0809
Mycobacterium leprae	Probable oxidoreductase	0.0052	0.0092	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0052	0.0092	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0052	0.0092	0.0152
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0092	0.0116
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0052	0.0092	0.0152
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0052	0.0092	0.0152
Plasmodium vivax	hypothetical protein, conserved	0.0052	0.0092	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 0 %	Binding affinity to rat uterus estrogen receptor at 0.01 uM	ChEMBL.	18472187
Activity (binding)	= 0 %	Binding affinity to rat uterus estrogen receptor at 1 uM	ChEMBL.	18472187
Activity (binding)	= 0 %	Binding affinity to rat ventral prostate androgen receptor at 0.01 uM	ChEMBL.	18472187
Activity (binding)	= 0 %	Binding affinity to rat ventral prostate androgen receptor at 1 uM	ChEMBL.	18472187
Activity (binding)	= 0 %	Binding affinity to rat uterus progesterone receptor at 0.01 uM	ChEMBL.	18472187
Activity (binding)	= 0 %	Binding affinity to rat liver glucocorticoid receptor at 0.01 uM	ChEMBL.	18472187
Activity (binding)	= 0 %	Binding affinity to rat liver glucocorticoid receptor at 1 uM	ChEMBL.	18472187
Activity (binding)	= 5 %	Binding affinity to rat uterus progesterone receptor at 1 uM	ChEMBL.	18472187
Activity (functional)	= 50 %	Estrogenic activity in human ZR-75-1 cells expressing estrogen receptor assessed as estrogen-induced cell proliferation at 1 uM after 9 days relative to estrogen	ChEMBL.	18472187
IC50 (binding)	= 2.9 nM	Inhibition of human 17beta-HSD5 expressed in HEK293 cells assessed as enzyme-mediated transformation of [14C]-4-androstene-3,17-dione in to [14C]-testosterone after 18 hrs	ChEMBL.	18472187
Inhibition (binding)	= 18.6 %	Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol at 3 uM after 7 hrs	ChEMBL.	19772289
Inhibition (binding)	= 25 %	Inhibition of human 17beta-HSD3 expressed in HEK293 cells assessed as enzyme-mediated transformation of [14C]-4-androstene-3,17-dione in to [14C]-testosterone at 0.1 uM	ChEMBL.	18472187
Inhibition (binding)	= 50 %	Inhibition of human 17beta-HSD1 expressed in HEK293 cells assessed as enzyme-mediated transformation of [14C]-E1 in to [14C]-E2 at 1 uM	ChEMBL.	18472187
Inhibition (binding)	= 64 %	Inhibition of human 17beta-HSD3 expressed in HEK293 cells assessed as enzyme-mediated transformation of [14C]-4-androstene-3,17-dione in to [14C]-testosterone at 1 uM	ChEMBL.	18472187
Inhibition (binding)	= 94 %	Inhibition of human 17beta-HSD5 expressed in HEK293 cells assessed as enzyme-mediated transformation of [14C]-4-androstene-3,17-dione in to [14C]-testosterone at 0.3 uM after 18 hrs	ChEMBL.	18472187
Inhibition (binding)	= 95 %	Inhibition of human 17beta-HSD5 expressed in HEK293 cells assessed as enzyme-mediated transformation of [14C]-4-androstene-3,17-dione in to [14C]-testosterone at 3 uM after 18 hrs	ChEMBL.	18472187

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: CHEMBL477677

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 978772