TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.435 | Formula: C20H19NO3S
H donors: 0 H acceptors: 2 LogP: 4.23 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1c1ccc(cc1)S(=O)(=O)N(c1ccccc1)C
InChi: 1S/C20H19NO3S/c1-21(17-8-4-3-5-9-17)25(22,23)18-14-12-16(13-15-18)19-10-6-7-11-20(19)24-2/h3-15H,1-2H3
InChiKey: HJIPMYQQHXXUJR-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0056	0.2401	0.697
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0274	0.8171
Schistosoma mansoni	hypothetical protein	0.0076	0.3354	1
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0274	0.8171
Trichomonas vaginalis	chromobox protein, putative	0.0039	0.1595	0.1358
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0463	0.0296
Schistosoma mansoni	hypothetical protein	0.0015	0.0463	0.0804
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0192	0.876	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.0009	0.021	0.5
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0011	0.0274	0.0205
Onchocerca volvulus		0.0028	0.1103	0.0852
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0274	0.00000000018122
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1103	0.1045
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0274	0.00000000018122
Brugia malayi	SET domain containing protein	0.0012	0.0321	0.0131
Schistosoma mansoni	apoptosis regulator bax	0.0076	0.3354	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0274	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1933	0.2015
Schistosoma mansoni	aldehyde dehydrogenase	0.0056	0.2401	0.697
Loa Loa (eye worm)	CHromoDomain protein family member	0.0011	0.0274	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0076	0.3354	0.3678
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0056	0.2401	0.5
Loa Loa (eye worm)	hypothetical protein	0.0113	0.5067	0.5681
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0026	0.1022	0.2585
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0975	0.0721
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.1467	0.1226
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0975	0.0721
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0011	0.0274	0.0205
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0038	0.1562	0.43
Brugia malayi	Associated with TFs and helicases family protein	0.0011	0.0274	0.0075
Onchocerca volvulus		0.0011	0.0274	0.000000055456
Schistosoma mansoni	chromobox protein	0.0011	0.0274	0.0205
Schistosoma mansoni	hypothetical protein	0.0011	0.0274	0.0205
Schistosoma mansoni	chromobox protein	0.0064	0.2787	0.8198
Schistosoma mansoni	hypothetical protein	0.0015	0.0463	0.0804
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0335	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0463	0.0804
Entamoeba histolytica	hypothetical protein	0.0011	0.0274	0.8171
Echinococcus granulosus	Chromobox protein 3	0.0011	0.0274	0.0205
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0274	0.00000000018122
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0056	0.2401	0.697
Brugia malayi	Heterochromatin protein 1	0.0064	0.2787	0.3015
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0274	0.00000000018122
Echinococcus granulosus	chromobox protein 1	0.0064	0.2787	0.8198
Schistosoma mansoni	hypothetical protein	0.0076	0.3354	1
Echinococcus multilocularis	chromobox protein 1	0.0064	0.2787	0.8198
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0027	0.107	0.2736
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0463	0.0804
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0274	0.00000000018122
Schistosoma mansoni	hypothetical protein	0.0076	0.3354	1
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0011	0.0274	0.0205
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.1755	0.4915
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.1755	0.4915
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0011	0.0274	0.0075
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0027	0.107	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0113	0.5067	0.5681
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0818	0.0711
Schistosoma mansoni	chromobox protein	0.0011	0.0274	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0274	0.0075
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0335	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.1755	0.4915
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0274	0.0075
Plasmodium falciparum	heterochromatin protein 1	0.0011	0.0274	0.1336
Trichomonas vaginalis	set domain proteins, putative	0.0218	1	1
Echinococcus multilocularis	chromobox protein 2	0.0011	0.0274	0.0205
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0011	0.0274	0.0205
Toxoplasma gondii	aldehyde dehydrogenase	0.0056	0.2401	1
Loa Loa (eye worm)	apoptosis regulator protein	0.0076	0.3354	0.3678
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0056	0.2401	1
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0011	0.0274	0.0205
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0274	0.00000000018122
Loa Loa (eye worm)	heterochromatin protein 1	0.0064	0.2787	0.3015
Trichomonas vaginalis	DNA helicase recq, putative	0.0012	0.0335	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0274	0.0075
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0076	0.3354	1
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.0335	1
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0011	0.0274	0.1141
Brugia malayi	Protein cec-1.	0.0011	0.0274	0.0075
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0274	0.00000000018122
Echinococcus granulosus	Chromo domain	0.0011	0.0274	0.0205
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0011	0.0274	0.0205
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0011	0.0274	0.1336
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0027	0.107	0.2736
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.1467	0.1226
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1467	0.147
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0818	0.0559
Brugia malayi	Pre-SET motif family protein	0.0027	0.107	0.1006
Schistosoma mansoni	chromobox protein	0.0064	0.2787	0.8198
Schistosoma mansoni	hypothetical protein	0.0015	0.0463	0.0804
Echinococcus multilocularis	Chromobox protein 3	0.0011	0.0274	0.0205
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.021	0.0873
Schistosoma mansoni	aldehyde dehydrogenase	0.0056	0.2401	0.697
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0015	0.0474	0.1974
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0011	0.0274	0.0205
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0818	0.1934
Echinococcus multilocularis	chromobox protein 1	0.0064	0.2787	0.8198
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0274	0.00000000018122
Echinococcus granulosus	chromobox protein 2	0.0011	0.0274	0.0205
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0076	0.3354	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.107	0.1006
Brugia malayi	chromobox protein homolog 3	0.0036	0.1467	0.147
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0056	0.2401	0.5
Loa Loa (eye worm)	hypothetical protein	0.0111	0.4995	0.5596
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0027	0.107	0.4455
Entamoeba histolytica	hypothetical protein	0.0011	0.0274	0.8171
Echinococcus granulosus	chromobox protein 1	0.0064	0.2787	0.8198
Trichomonas vaginalis	chromobox protein, putative	0.0064	0.2787	0.2584
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.1755	0.4915
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0274	0.00000000018122
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0274	0.0075
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.1755	0.4915
Brugia malayi	hypothetical protein	0.0011	0.0274	0.0075
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0011	0.0274	0.1141
Schistosoma mansoni	hypothetical protein	0.0031	0.1252	0.3315
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.1755	0.4915
Plasmodium vivax	hypothetical protein, conserved	0.0011	0.0274	0.0000000022149
Echinococcus granulosus	GPCR family 2	0.0015	0.0463	0.0804
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0076	0.3354	1
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0076	0.3354	0.3678
Entamoeba histolytica	hypothetical protein	0.0011	0.0274	0.8171
Echinococcus granulosus	histone lysine methyltransferase setb	0.0027	0.107	0.2736
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0463	0.0296
Trichomonas vaginalis	chromobox protein, putative	0.0039	0.1595	0.1358
Brugia malayi	hypothetical protein	0.0113	0.5067	0.5681
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0076	0.3354	1
Brugia malayi	Pre-SET motif family protein	0.0192	0.876	1
Onchocerca volvulus		0.0038	0.1562	0.1324
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0274	0.00000000018122
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0011	0.0274	0.0205
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0042	0.1755	0.1808
Schistosoma mansoni	blooms syndrome DNA helicase	0.0017	0.06	0.1241
Plasmodium vivax	SET domain protein, putative	0.0027	0.107	1
Brugia malayi	Valyl-tRNA synthetase	0.0011	0.0274	0.0075
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0011	0.0274	0.1336
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0056	0.2401	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0056	0.2401	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0463	0.0804
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0463	0.0804
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0818	0.0711
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0274	0.00000000018122
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.021	0.0873
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.1595	0.1358
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0042	0.1755	0.1808
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0463	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0274	0.0075
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0015	0.0482	0.2617
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0027	0.107	0.2736
Brugia malayi	M-phase phosphoprotein, mpp8	0.0011	0.0274	0.0075
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0011	0.0274	0.1141
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0274	0.8171
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0274	0.0075
Loa Loa (eye worm)	helicase	0.0011	0.0274	0.0075
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0818	0.0559
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0036	0.1467	0.1226
Trichomonas vaginalis	chromobox protein, putative	0.0064	0.2787	0.2584
Echinococcus multilocularis	Chromo domain	0.0011	0.0274	0.0205
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0274	0.00000000018122
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0274	0.00000000018122
Onchocerca volvulus	Huntingtin homolog	0.0113	0.5067	0.4928
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0463	0.0804
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.1755	0.4915
Brugia malayi	CHD4 protein	0.0011	0.0274	0.0075
Brugia malayi	latrophilin 2 splice variant baaae	0.0031	0.1252	0.1219
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0046	0.1933	0.2015
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0818	0.1934
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0027	0.107	0.2736
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0463	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1252	0.1219
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0046	0.1933	0.2015
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0463	0.0296
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0019	0.0692	1
Onchocerca volvulus	Huntingtin homolog	0.0113	0.5067	0.4928
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0046	0.1933	0.2015
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0076	0.3354	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 10 %	Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabeled, [2,4,6,7-3H]-estradiol as substrate at 1 uM after 20 mins by HPLC analysis in presence of NAD+ relative to control	ChEMBL.	24036043
Inhibition (binding)	= 17 %	Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabeled, [2,4,6,7-3H]-estrone as substrate at 1 uM after 20 mins by HPLC analysis in presence of NADH relative to control	ChEMBL.	24036043

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: CHEMBL2434987

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 1786599