TDR Targets

Basic information

Technical information

TDR Targets ID: 1367558
Name: N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylp ropan-2-yl]benzenesulfonamide
MW: 393.567 | Formula: C19H27N3O2S2
H donors: 1 H acceptors: 2 LogP: 2.78 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC1)C(C(NS(=O)(=O)c1ccccc1)C)c1cccs1
InChi: 1S/C19H27N3O2S2/c1-3-21-11-13-22(14-12-21)19(18-10-7-15-25-18)16(2)20-26(23,24)17-8-5-4-6-9-17/h4-10,15-16,19-20H,3,11-14H2,1-2H3
InChiKey: RHSZNJXCMDXTCO-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

N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzenesulfonamide
N-[2-(4-ethyl-1-piperazinyl)-1-methyl-2-(2-thienyl)ethyl]benzenesulfonamide
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide
MLS000419075
SMR000320395
IFLab1_003064

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	galactosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Alpha-N-acetylgalactosaminidase, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Echinococcus multilocularis	Glycoside hydrolase, family 27	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	Alpha-N-acetylgalactosaminidase, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	Alpha-N-acetylgalactosaminidase precursor, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	Alpha-N-acetylgalactosaminidase, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127620	All targets in OG5_127620
Toxoplasma gondii	melibiase subfamily protein	Get druggable targets OG5_127620	All targets in OG5_127620
Neospora caninum	hypothetical protein	Get druggable targets OG5_127620	All targets in OG5_127620
Echinococcus granulosus	Alpha N acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative	Get druggable targets OG5_127620	All targets in OG5_127620
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Brugia malayi	Melibiase family protein	Get druggable targets OG5_127620	All targets in OG5_127620
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127620	All targets in OG5_127620

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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.3852	0.61
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0382	0.057
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3852	0.3837
Echinococcus granulosus	serine:threonine protein kinase N2	0.0051	0.349	0.3474
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3852	0.3837
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1505	0.236
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0082	0.6299	0.629
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0382	0.0359
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0074	0.5567	0.8833
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.3852	0.3837
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0082	0.6299	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.3852	0.3837
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0124	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.3852	0.3837
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0382	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0382	0.0359
Echinococcus granulosus	RNA directed DNA polymerase	0.0029	0.1505	0.1484
Loa Loa (eye worm)	hypothetical protein	0.0082	0.6299	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0382	0.0359
Echinococcus multilocularis	protein kinase c epsilon type	0.0074	0.5567	0.5556
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0018	0.0463	0.044
Echinococcus granulosus	protein kinase c iota type	0.0022	0.0826	0.0803
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Schistosoma mansoni	serine/threonine protein kinase	0.0074	0.5567	0.5556
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.3606	0.3591
Echinococcus multilocularis	RNA directed DNA polymerase	0.0029	0.1505	0.1484
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0382	0.0359
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0382	1
Brugia malayi	Protein kinase c protein 2	0.004	0.2497	0.3941
Echinococcus granulosus	protein kinase C gamma type	0.0044	0.2805	0.2787
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0382	0.0359
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	1	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0382	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3852	0.3837
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0031	0.1696	0.2664
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0017	0.0382	0.5
Echinococcus granulosus	protein kinase c epsilon type	0.0074	0.5567	0.5556
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0382	0.057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0017	0.0382	0.5
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0382	0.0359
Schistosoma mansoni	unc-13 (munc13)	0.0013	0.004	0.0016
Echinococcus multilocularis	protein kinase c iota type	0.0022	0.0826	0.0803
Brugia malayi	protein kinase C II.	0.0074	0.5567	0.8833
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0382	0.0359
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0382	0.057
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.3852	0.3837
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.2306	0.3637
Brugia malayi	Melibiase family protein	0.0082	0.6299	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	1	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0053	0.3606	0.3591
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0051	0.349	1
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0029	0.1505	0.1484
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0382	0.5
Toxoplasma gondii	melibiase subfamily protein	0.0124	1	1
Echinococcus multilocularis	serine threonine protein kinase	0.0044	0.2805	0.2787
Toxoplasma gondii	Alpha-galactosidase	0.0018	0.0463	0.044
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0382	0.5
Schistosoma mansoni	atypical protein kinase C	0.0022	0.0826	0.0803
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0024	0.0039
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.3852	0.61
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0124	1	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0017	0.0382	0.5
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0382	0.0359
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.3606	0.3591
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0064	0.4599	0.4586
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0082	0.6299	0.629
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0053	0.3606	0.3591
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0382	0.0359

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7943 uM	PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1496035

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1367558