TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.436 | Formula: C20H19NOS
H donors: 0 H acceptors: 1 LogP: 5.34 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)c1ccc(s1)C(=O)N(c1ccccc1C)C
InChi: 1S/C20H19NOS/c1-14-8-10-16(11-9-14)18-12-13-19(23-18)20(22)21(3)17-7-5-4-6-15(17)2/h4-13H,1-3H3
InChiKey: QZFJAFSVUBQGKF-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
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0096	0.0893	0.0124
Schistosoma mansoni	blooms syndrome DNA helicase	0.0171	0.2228	0.1572
Brugia malayi	Fibulin-1 precursor	0.0553	0.9024	0.9002
Echinococcus granulosus	protein jagged 2	0.0211	0.2942	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Echinococcus multilocularis	neurogenic locus protein delta	0.0211	0.2942	0.2347
Schistosoma mansoni	hypothetical protein	0.0211	0.2942	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0779	0.0576
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0553	0.9024	0.9002
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0096	0.0893	0.0692
Schistosoma mansoni	egf-like domain protein	0.0553	0.9024	0.8941
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0211	0.2942	0.2347
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0096	0.0893	0.0124
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0211	0.2942	0.2787
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0186	0.2507	0.1875
Loa Loa (eye worm)	Notch2	0.0211	0.2942	0.2787
Schistosoma mansoni	hypothetical protein	0.0186	0.2507	0.1875
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0553	0.9024	0.9002
Trichomonas vaginalis	DNA helicase recq1, putative	0.0216	0.3037	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Echinococcus multilocularis	neural cadherin	0.0211	0.2942	0.2347
Brugia malayi	EGF-like domain containing protein	0.0211	0.2942	0.2787
Echinococcus granulosus	neurogenic locus notch protein	0.0211	0.2942	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2507	0.2342
Schistosoma mansoni	hypothetical protein	0.0211	0.2942	0.2347
Schistosoma mansoni	notch	0.0211	0.2942	0.2347
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0186	0.2507	0.2342
Echinococcus granulosus	tissue type plasminogen activator	0.0608	1	1
Toxoplasma gondii	kringle domain-containing protein	0.0608	1	1
Brugia malayi	Trypsin family protein	0.0186	0.2507	0.2342
Loa Loa (eye worm)	RecQ helicase	0.0216	0.3037	0.2884
Echinococcus granulosus	transmembrane protease serine 3	0.0186	0.2507	0.1875
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0186	0.2507	0.1875
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Schistosoma mansoni	hypothetical protein	0.0211	0.2942	0.2347
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0553	0.9024	0.9024
Loa Loa (eye worm)	hypothetical protein	0.0553	0.9024	0.9002
Schistosoma mansoni	hypothetical protein	0.0096	0.0893	0.0124
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0116	0.1246	0.5
Schistosoma mansoni	hypothetical protein	0.0211	0.2942	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0553	0.9024	0.9002
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0553	0.9024	0.9024
Giardia lamblia	High cysteine protein	0.0211	0.2942	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0089	0.0779	0.0779
Echinococcus granulosus	Mastin	0.0186	0.2507	0.1875
Echinococcus granulosus	protein jagged 1	0.0211	0.2942	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Brugia malayi	Trypsin-like protease protein 5	0.0186	0.2507	0.2342
Echinococcus multilocularis	bloom syndrome protein	0.0216	0.3037	0.2449
Brugia malayi	MH2 domain containing protein	0.0138	0.1645	0.1461
Brugia malayi	Trypsin family protein	0.0186	0.2507	0.2342
Echinococcus granulosus	bloom syndrome protein	0.0216	0.3037	0.2449
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2507	0.2342
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Echinococcus granulosus	protein jagged 1	0.0211	0.2942	0.2347
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0089	0.0779	0.0576
Schistosoma mansoni	notch	0.0211	0.2942	0.2347
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0186	0.2507	0.1875
Echinococcus granulosus	neurogenic locus notch protein	0.0211	0.2942	0.2347
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0144	0.1761	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0271	0.401	0.3878
Trichomonas vaginalis	DNA helicase recq, putative	0.0216	0.3037	1
Onchocerca volvulus		0.0211	0.2942	0.0581
Schistosoma mansoni	hypothetical protein	0.0211	0.2942	0.2347
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0553	0.9024	0.9002
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0089	0.0779	0.0576
Brugia malayi	Calcium binding EGF domain containing protein	0.0211	0.2942	0.2787
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Schistosoma mansoni	notch	0.0211	0.2942	0.2347
Schistosoma mansoni	notch	0.0211	0.2942	0.2347
Onchocerca volvulus		0.0211	0.2942	0.0581
Brugia malayi	notch-like transmembrane receptor	0.0211	0.2942	0.2787
Onchocerca volvulus		0.0211	0.2942	0.0581
Brugia malayi	Trypsin family protein	0.0186	0.2507	0.2342
Entamoeba histolytica	recQ family helicase, putative	0.0116	0.1246	1
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2507	0.2342
Brugia malayi	Cadherin domain containing protein	0.0211	0.2942	0.2787
Loa Loa (eye worm)	notch protein	0.0211	0.2942	0.2787
Echinococcus multilocularis	tissue type plasminogen activator	0.0608	1	1
Brugia malayi	EGF-like domain containing protein	0.0211	0.2942	0.2787
Brugia malayi	Cadherin domain containing protein	0.0211	0.2942	0.2787
Echinococcus multilocularis	notch	0.0211	0.2942	0.2347
Echinococcus granulosus	fibropellin Ia	0.0211	0.2942	0.2347
Schistosoma mansoni	hypothetical protein	0.0211	0.2942	0.2347
Onchocerca volvulus		0.0211	0.2942	0.0581
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0096	0.0893	0.0124
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0089	0.0779	0.0576
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0186	0.2507	0.1875
Brugia malayi	EGF-like domain containing protein	0.0211	0.2942	0.2787
Onchocerca volvulus	Arrow homolog	0.0553	0.9024	0.8697
Echinococcus multilocularis	Tolloid protein 1	0.0553	0.9024	0.8941
Brugia malayi	hypothetical protein	0.0186	0.2507	0.2342
Echinococcus multilocularis	enteropeptidase	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Schistosoma mansoni	slit	0.0211	0.2942	0.2347
Mycobacterium ulcerans	hypothetical protein	0.0186	0.2507	0.5
Schistosoma mansoni	septate junction protein	0.0211	0.2942	0.2347
Echinococcus multilocularis	laminin	0.0553	0.9024	0.8941
Loa Loa (eye worm)	hypothetical protein	0.0553	0.9024	0.9002
Echinococcus granulosus	enteropeptidase	0.0186	0.2507	0.1875
Schistosoma mansoni	hypothetical protein	0.0186	0.2507	0.1875
Leishmania major	hypothetical protein, conserved	0.0608	1	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Echinococcus multilocularis	protein jagged 2	0.0211	0.2942	0.2347
Onchocerca volvulus		0.0211	0.2942	0.0581
Brugia malayi	EGF-like domain containing protein	0.0211	0.2942	0.2787
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Echinococcus multilocularis	glycoprotein Antigen 5	0.0186	0.2507	0.1875
Brugia malayi	Calcium binding EGF domain containing protein	0.0553	0.9024	0.9002
Echinococcus granulosus	neural cadherin	0.0211	0.2942	0.2347
Schistosoma mansoni	cell polarity protein	0.0211	0.2942	0.2347
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0211	0.2942	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2507	0.2342
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Brugia malayi	EGF-like domain containing protein	0.0211	0.2942	0.2787
Schistosoma mansoni	hypothetical protein	0.0096	0.0893	0.0124
Echinococcus multilocularis	transmembrane protease serine 3	0.0186	0.2507	0.1875
Echinococcus multilocularis	geminin	0.0196	0.2674	0.2055
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0211	0.2942	0.2347
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	trypsin family protein	0.0186	0.2507	0.2342
Schistosoma mansoni	hypothetical protein	0.0096	0.0893	0.0124
Echinococcus multilocularis	fibropellin Ia	0.0211	0.2942	0.2347
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.019	0.257	0.1943
Loa Loa (eye worm)	hypothetical protein	0.0608	1	1
Echinococcus multilocularis	protein jagged 1	0.0211	0.2942	0.2347
Onchocerca volvulus		0.0608	1	1
Echinococcus multilocularis	protein jagged 1	0.0211	0.2942	0.2347
Brugia malayi	EGF-like domain containing protein	0.0211	0.2942	0.2787
Trypanosoma cruzi	hypothetical protein, conserved	0.0608	1	1
Echinococcus granulosus	neurogenic locus protein delta	0.0211	0.2942	0.2347
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Echinococcus granulosus	notch	0.0211	0.2942	0.2347
Brugia malayi	Calcium binding EGF domain containing protein	0.0211	0.2942	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2507	0.2342
Loa Loa (eye worm)	transcription factor SMAD2	0.0138	0.1645	0.1461
Echinococcus multilocularis	fibrillin 1	0.0553	0.9024	0.8941
Echinococcus multilocularis	Mastin	0.0186	0.2507	0.1875
Schistosoma mansoni	laminin gamma-3 chain	0.0211	0.2942	0.2347
Echinococcus granulosus	Tolloid protein 1	0.0553	0.9024	0.8941
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Schistosoma mansoni	notch	0.0211	0.2942	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2507	0.2342
Schistosoma mansoni	hypothetical protein	0.0211	0.2942	0.2347
Schistosoma mansoni	hypothetical protein	0.0608	1	1
Onchocerca volvulus	Slit protein homolog	0.0211	0.2942	0.0581
Brugia malayi	EGF-like domain containing protein	0.0211	0.2942	0.2787
Brugia malayi	Muscle positioning protein 4	0.0211	0.2942	0.2787
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0553	0.9024	0.9002
Loa Loa (eye worm)	apoptosis regulator protein	0.0096	0.0893	0.0692
Schistosoma mansoni	notch	0.0211	0.2942	0.2347
Plasmodium falciparum	cysteine repeat modular protein 1	0.0608	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0893	0.0692
Echinococcus multilocularis	neurogenic locus notch protein	0.0211	0.2942	0.2347
Brugia malayi	Delta serrate ligand family protein	0.0211	0.2942	0.2787
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0608	1	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Schistosoma mansoni	apoptosis regulator bax	0.0096	0.0893	0.0124
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0553	0.9024	0.8941
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0096	0.0893	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Brugia malayi	Calcium binding EGF domain containing protein	0.0211	0.2942	0.2787
Brugia malayi	GCC2 and GCC3 family protein	0.0211	0.2942	0.2787
Schistosoma mansoni	hypothetical protein	0.0196	0.2674	0.2055
Onchocerca volvulus	Neurogenic locus notch homolog	0.0211	0.2942	0.0581
Echinococcus granulosus	laminin	0.0553	0.9024	0.8941
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Echinococcus granulosus	protein jagged 2	0.0211	0.2942	0.2347
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0186	0.2507	0.1875
Echinococcus granulosus	slit 2 protein	0.0211	0.2942	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0553	0.9024	0.9002
Echinococcus granulosus	delta-like protein 1	0.0211	0.2942	0.2347
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0089	0.0779	0.0779
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0186	0.2507	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0096	0.0893	0.0124
Echinococcus multilocularis	neurogenic locus protein delta	0.0211	0.2942	0.2347
Echinococcus multilocularis	neurogenic locus notch protein	0.0211	0.2942	0.2347
Brugia malayi	Bloom's syndrome protein homolog	0.0216	0.3037	0.2884
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0211	0.2942	0.2347
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Echinococcus multilocularis	slit 2 protein	0.0211	0.2942	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2507	0.2342
Brugia malayi	Trypsin family protein	0.0186	0.2507	0.2342
Brugia malayi	Kringle domain containing protein	0.0608	1	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2942	0.2787
Toxoplasma gondii	EGF family domain-containing protein	0.0211	0.2942	0.2942
Echinococcus granulosus	glycoprotein Antigen 5	0.0186	0.2507	0.1875
Schistosoma mansoni	hypothetical protein	0.0196	0.2674	0.2055
Schistosoma mansoni	cercarial elastase (S01 family)	0.0186	0.2507	0.1875
Loa Loa (eye worm)	TK/ROR protein kinase	0.0608	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0138	0.1645	0.1461
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0186	0.2507	0.1875
Echinococcus granulosus	geminin	0.0196	0.2674	0.2055
Echinococcus granulosus	neurogenic locus notch protein 4	0.0211	0.2942	0.2347
Onchocerca volvulus	Putative cubilin	0.0211	0.2942	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0553	0.9024	0.9002

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 225 nM	Displacement of [3H]E2 from human placental microsomal 17beta-HSD2 after 20 mins by cell-free assay	ChEMBL.	25259513
IC50 (binding)	= 698 nM	Displacement of [3H]E1 from human placental cytosolic17beta-HSD1 after 10 mins by cell-free assay	ChEMBL.	25259513

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: CHEMBL3342511

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 934988