TDR Targets

Basic information

Technical information

TDR Targets ID: 1477100
Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl ]-(3,5-dimethoxyphenyl)methanone
MW: 384.426 | Formula: C21H24N2O5
H donors: 0 H acceptors: 1 LogP: 2.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChi: 1S/C21H24N2O5/c1-25-17-10-16(11-18(12-17)26-2)21(24)23-7-5-22(6-8-23)13-15-3-4-19-20(9-15)28-14-27-19/h3-4,9-12H,5-8,13-14H2,1-2H3
InChiKey: GIBOJKKOCAEUEE-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

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone
BAS 02500536
(4-Benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)(3,5-dimethoxyphenyl)methanone
Oprea1_809094
EU-0015277
Oprea1_801707
STK128126

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 multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.8445	0.8445
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.7047	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.7047	0.7047
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	1	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.8445	0.8445
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.8445	1
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.7047	1
Brugia malayi	RNA recognition motif domain containing protein	0.0063	1	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Brugia malayi	TAR-binding protein	0.0063	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0063	1	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.7047	0.8344
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.7047	1
Echinococcus multilocularis	tar DNA binding protein	0.0063	1	1
Trypanosoma brucei	protein kinase, putative	0.005	0.7047	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0	0.5
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.7047	0.8344
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.7603	0.7603
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.7047	1
Loa Loa (eye worm)	RNA binding protein	0.0063	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Brugia malayi	MAP kinase sur-1	0.005	0.7047	0.7047
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.8445	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.7047	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.7047	1
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.7047	0.7047
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.8445	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.7047	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.8445	0.8445
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0	0.5
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.7047	1
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.7047	0.7047
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.7047	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.7047	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.7047	0.7047
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Echinococcus granulosus	tar DNA binding protein	0.0063	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.7047	0.7047
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.8445	0.8445
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.8445	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.7047	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.7047	0.7047

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

ChEMBL: CHEMBL1620642

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 1477100