TDR Targets

Basic information

Technical information

TDR Targets ID: 1539957
Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piper azin-1-yl]-N-(3-ethoxypropyl)acetamide
MW: 409.543 | Formula: C20H31N3O4S
H donors: 1 H acceptors: 3 LogP: 1.64 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCCNC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCC2
InChi: 1S/C20H31N3O4S/c1-2-27-14-4-9-21-20(24)16-22-10-12-23(13-11-22)28(25,26)19-8-7-17-5-3-6-18(17)15-19/h7-8,15H,2-6,9-14,16H2,1H3,(H,21,24)
InChiKey: WJXYWVDCDCLJGI-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-(3-ethoxypropyl)-2-(4-indan-5-ylsulfonylpiperazin-1-yl)acetamide
N-(3-ethoxypropyl)-2-[4-(5-indanylsulfonyl)-1-piperazinyl]acetamide
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(3-ethoxypropyl)ethanamide
T5554939

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No 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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0089	0.1314	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0156	0.2832	0.2979
Brugia malayi	hypothetical protein	0.0089	0.1314	0.1314
Mycobacterium tuberculosis	Possible oxidoreductase	0.0089	0.1314	0.5
Echinococcus multilocularis		0.0089	0.1314	0.1296
Echinococcus granulosus	lysine specific demethylase 5A	0.0095	0.1469	0.1467
Loa Loa (eye worm)	hypothetical protein	0.0436	0.9166	0.9166
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1314	0.1314
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0089	0.1314	0.1296
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0089	0.1314	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0089	0.1314	1
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0089	0.1314	0.5
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0089	0.1314	1
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0	0.5
Entamoeba histolytica	hypothetical protein	0.0037	0.0145	0.5
Plasmodium falciparum	protoporphyrinogen oxidase	0.0089	0.1314	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0089	0.1314	0.5
Loa Loa (eye worm)	hypothetical protein	0.0125	0.2148	0.2148
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0089	0.1314	0.5
Mycobacterium ulcerans	monoamine oxidase	0.0089	0.1314	0.5
Brugia malayi	jmjC domain containing protein	0.0156	0.2832	0.2832
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.023	0.0095
Toxoplasma gondii	histone lysine-specific demethylase	0.0089	0.1314	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0089	0.1314	0.5
Entamoeba histolytica	SWIRM domain protein	0.0037	0.0145	0.5
Brugia malayi	jmjC domain containing protein	0.0095	0.1469	0.1469
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0145	0.0145
Schistosoma mansoni	jumonji domain containing protein	0.0136	0.2388	0.2486
Plasmodium vivax	hypothetical protein, conserved	0.0089	0.1314	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0436	0.9166	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0095	0.1469	0.1467
Mycobacterium ulcerans	dehydrogenase	0.0089	0.1314	0.5
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0089	0.1314	0.1296
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0675	0.0675
Schistosoma mansoni	amine oxidase	0.0089	0.1314	0.1296
Plasmodium vivax	hypothetical protein, conserved	0.0089	0.1314	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0089	0.1314	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1314	0.1314
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0145	0.5
Mycobacterium ulcerans	oxidoreductase	0.0089	0.1314	0.5
Onchocerca volvulus		0.0473	1	0.5
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0089	0.1314	1
Loa Loa (eye worm)	hypothetical protein	0.0473	1	1
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.023	0.0095
Giardia lamblia	hypothetical protein	0.0037	0.0145	0.5
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0089	0.1314	0.1296
Entamoeba histolytica	SWIRM domain protein	0.0037	0.0145	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0095	0.1469	0.1467
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0806	0.0806
Loa Loa (eye worm)	hypothetical protein	0.0436	0.9166	0.9166
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0145	0.5
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0436	0.9166	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0095	0.1469	0.1467
Brugia malayi	amine oxidase, flavin-containing family protein	0.0125	0.2148	0.2148
Loa Loa (eye worm)	jmjC domain-containing protein	0.0095	0.1469	0.1469
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0436	0.9166	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0089	0.1314	0.5
Toxoplasma gondii	SWIRM domain-containing protein	0.0037	0.0145	0.1105
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0089	0.1314	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0089	0.1314	0.5
Brugia malayi	SWIRM domain containing protein	0.0037	0.0145	0.0145
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0156	0.2832	0.2979
Leishmania major	UDP-galactopyranose mutase	0.0089	0.1314	1
Schistosoma mansoni	amine oxidase	0.0089	0.1314	0.1296

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1906124

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 1539957