TDR Targets

Basic information

Technical information

TDR Targets ID: 756449
Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1- yl]-N-(4-chlorophenyl)acetamide
MW: 387.86 | Formula: C20H22ClN3O3
H donors: 1 H acceptors: 1 LogP: 2.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)Cl)CN1CCN(CC1)Cc1ccc2c(c1)OCO2
InChi: 1S/C20H22ClN3O3/c21-16-2-4-17(5-3-16)22-20(25)13-24-9-7-23(8-10-24)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2,(H,22,25)
InChiKey: WCOCAALLUIZPFD-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

2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-chlorophenyl)acetamide
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-chlorophenyl)ethanamide
2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-N-(4-chloro-phenyl)-acetamide
BAS 03058315
ST5015595

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
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.002	0.5856	0.5761
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.5856	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.002	0.5856	0.5
Echinococcus multilocularis	lamin dm0	0.0027	1	1
Echinococcus granulosus	intermediate filament protein	0.0027	1	1
Entamoeba histolytica	recQ family helicase, putative	0.002	0.5856	1
Brugia malayi	Bloom's syndrome protein homolog	0.002	0.5856	0.4291
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.0223	0.0223
Loa Loa (eye worm)	RecQ helicase	0.002	0.5856	0.5761
Treponema pallidum	ATP-dependent DNA helicase	0.001	0.0223	0.5
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.002	0.5856	0.5
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.002	0.5856	0.4877
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	1	1
Schistosoma mansoni	DNA helicase recq5	0.002	0.5856	0.5856
Echinococcus multilocularis	musashi	0.0027	1	1
Echinococcus multilocularis	bloom syndrome protein	0.002	0.5856	0.4877
Loa Loa (eye worm)	hypothetical protein	0.001	0.0223	0.0000000048454
Loa Loa (eye worm)	hypothetical protein	0.0027	1	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.5856	0.5
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.5856	0.4291
Loa Loa (eye worm)	hypothetical protein	0.002	0.5856	0.5761
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1625	0.1434
Loa Loa (eye worm)	hypothetical protein	0.0026	0.9714	0.9707
Schistosoma mansoni	lamin	0.0027	1	1
Echinococcus granulosus	bloom syndrome protein	0.002	0.5856	0.4877
Trichomonas vaginalis	DNA helicase recq1, putative	0.002	0.5856	0.5
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0223	0.0381
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.5856	1
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.002	0.5856	0.4877
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1911	0.1727
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.0223	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1625	0.1434
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.002	0.5856	0.4877
Trichomonas vaginalis	DNA helicase recq, putative	0.002	0.5856	0.5
Schistosoma mansoni	DNA helicase recq1	0.002	0.5856	0.5856
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.5856	0.5
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.2742	0.2576
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	1	1
Echinococcus multilocularis	lamin	0.0027	1	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.5856	0.5
Onchocerca volvulus		0.0027	1	0.5
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0223	0.0381
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.5856	0.4291
Echinococcus granulosus	lamin dm0	0.0027	1	1
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.002	0.5856	0.4877
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.5856	1
Schistosoma mansoni	lamin	0.0027	1	1
Echinococcus granulosus	lamin	0.0027	1	1
Trichomonas vaginalis	DNA helicase recq, putative	0.002	0.5856	0.5
Onchocerca volvulus		0.0027	1	0.5
Schistosoma mansoni	intermediate filament proteins	0.0027	1	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 756449