TDR Targets

Basic information

Technical information

TDR Targets ID: 149195
Name: 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperi din-4-yl)ethyl]pyridazin-3-amine
MW: 416.515 | Formula: C25H28N4O2
H donors: 1 H acceptors: 2 LogP: 4.27 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)CN1CCC(CC1)CCNc1ccc(nn1)c1ccc2c(c1)OCO2
InChi: 1S/C25H28N4O2/c1-2-4-20(5-3-1)17-29-14-11-19(12-15-29)10-13-26-25-9-7-22(27-28-25)21-6-8-23-24(16-21)31-18-30-23/h1-9,16,19H,10-15,17-18H2,(H,26,28)
InChiKey: ZVIMHANRZCIDGP-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

6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzyl-4-piperidyl)ethyl]pyridazin-3-amine
6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzyl-4-piperidinyl)ethyl]-3-pyridazinamine
6-(1,3-benzodioxol-5-yl)-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]pyridazin-3-amine
[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-[2-(1-benzyl-4-piperidyl)ethyl]amine
6-(1,3-benzodioxol-5-yl)-N-[2-[1-(phenylmethyl)-4-piperidyl]ethyl]pyridazin-3-amine
6-(1,3-benzodioxol-5-yl)-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-3-pyridazinamine
[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-[2-[1-(benzyl)-4-piperidyl]ethyl]amine

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
Trypanosoma brucei	alpha tubulin	0.0026	0.8085	1
Loa Loa (eye worm)	animal heme peroxidase	0.003	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.002	0.462	0.5715
Schistosoma mansoni	tubulin subunit alpha	0.0026	0.8085	0.6439
Brugia malayi	Peroxidasin	0.003	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.002	0.462	0.5715
Schistosoma mansoni	peroxidasin	0.003	1	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0026	0.8085	0.6439
Echinococcus granulosus	alpha tubulin	0.0026	0.8085	0.6439
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Leishmania major	alpha tubulin	0.0026	0.8085	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.002	0.462	0.3222
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0026	0.8085	0.6439
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Trypanosoma brucei	epsilon tubulin	0.002	0.462	0.5715
Onchocerca volvulus	Peroxidase homolog	0.003	1	1
Leishmania major	alpha tubulin	0.0026	0.8085	1
Echinococcus multilocularis	tubulin alpha chain	0.0026	0.8085	0.6439
Onchocerca volvulus	Chorion peroxidase homolog	0.003	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0026	0.8085	0.6439
Echinococcus granulosus	Tubulin alpha 1 chain	0.0026	0.8085	0.6439
Loa Loa (eye worm)	beta-tubulin	0.002	0.462	0.3222
Loa Loa (eye worm)	blistered cuticle protein 3	0.003	1	1
Trypanosoma brucei	beta tubulin	0.002	0.462	0.5715
Plasmodium vivax	tubulin alpha chain, putative	0.0026	0.8085	1
Schistosoma mansoni	peroxidasin	0.003	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0018	0.3464	0.4285
Leishmania major	alpha tubulin	0.0026	0.8085	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0026	0.8085	0.6439
Trichomonas vaginalis	tubulin beta chain, putative	0.0026	0.8085	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0015	0.2064	0.2552
Brugia malayi	Tubulin alpha chain	0.0026	0.8085	0.8085
Loa Loa (eye worm)	tubulin alpha chain	0.0026	0.8085	0.7587
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0026	0.8085	0.6439
Trypanosoma brucei	alpha tubulin	0.0026	0.8085	1
Trypanosoma brucei	alpha tubulin	0.0026	0.8085	1
Schistosoma mansoni	alpha tubulin	0.0026	0.8085	0.6439
Onchocerca volvulus	Peroxidasin homolog	0.003	1	1
Loa Loa (eye worm)	BEN-1 protein	0.002	0.462	0.3222
Echinococcus multilocularis	tubulin alpha chain	0.0026	0.8085	0.6439
Trypanosoma brucei	beta tubulin	0.002	0.462	0.5715
Loa Loa (eye worm)	tubulin beta-4 chain	0.002	0.462	0.3222
Trypanosoma brucei	epsilon tubulin	0.002	0.462	0.5715
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.3464	0.1765
Leishmania major	alpha tubulin	0.0026	0.8085	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0026	0.8085	0.6439
Leishmania major	alpha tubulin	0.0026	0.8085	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0026	0.8085	1
Brugia malayi	Animal haem peroxidase family protein	0.003	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.003	1	1
Echinococcus granulosus	tubulin alpha chain	0.0026	0.8085	0.6439
Loa Loa (eye worm)	tubulin alpha chain	0.0026	0.8085	0.7587
Toxoplasma gondii	alpha tubulin TUBA1	0.0026	0.8085	1
Onchocerca volvulus		0.003	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0026	0.8085	1
Loa Loa (eye worm)	BEN-1 protein	0.002	0.462	0.3222
Trypanosoma brucei	tubulin gamma chain	0.002	0.462	0.5715
Leishmania major	alpha tubulin	0.0026	0.8085	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0018	0.3464	0.1765
Echinococcus multilocularis	tubulin subunit TubB	0.0026	0.8085	0.6439
Giardia lamblia	Alpha-tubulin	0.0026	0.8085	1
Onchocerca volvulus		0.003	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Brugia malayi	Animal haem peroxidase family protein	0.003	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0026	0.8085	1
Echinococcus granulosus	tubulin alpha chain	0.0026	0.8085	0.6439
Echinococcus granulosus	tubulin alpha chain	0.0026	0.8085	0.6439
Trichomonas vaginalis	tubulin beta chain, putative	0.002	0.462	0.5715
Loa Loa (eye worm)	tubulin gamma chain	0.002	0.462	0.3222
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0026	0.8085	0.6439
Giardia lamblia	Alpha-tubulin	0.0026	0.8085	1
Echinococcus multilocularis	hypothetical protein	0.0026	0.8085	0.6439
Echinococcus granulosus	peroxidasin	0.003	1	1
Leishmania major	alpha tubulin	0.0026	0.8085	1
Loa Loa (eye worm)	alpha-tubulin	0.0026	0.8085	0.7587
Trichomonas vaginalis	tubulin gamma chain, putative	0.002	0.462	0.5715
Echinococcus granulosus	tubulin subunit TubB	0.0026	0.8085	0.6439
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Loa Loa (eye worm)	tubulin beta chain	0.002	0.462	0.3222
Brugia malayi	Animal haem peroxidase family protein	0.003	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0026	0.8085	1
Plasmodium falciparum	alpha tubulin 1	0.0026	0.8085	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0026	0.8085	0.6439
Echinococcus multilocularis	tubulin alpha chain	0.0026	0.8085	0.6439
Trichomonas vaginalis	tubulin alpha chain, putative	0.002	0.462	0.5715
Echinococcus granulosus	tubulin alpha chain	0.0026	0.8085	0.6439
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0026	0.8085	0.6439
Echinococcus multilocularis	peroxidasin	0.003	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.003	1	1
Echinococcus granulosus	tubulin alpha chain	0.0026	0.8085	0.6439
Trichomonas vaginalis	tubulin alpha chain, putative	0.002	0.462	0.5715
Brugia malayi	Tubulin beta-1 chain	0.002	0.462	0.462
Onchocerca volvulus		0.003	1	1
Schistosoma mansoni	alpha tubulin	0.0026	0.8085	0.6439
Onchocerca volvulus	Dual oxidase homolog	0.003	1	1
Schistosoma mansoni	alpha tubulin	0.0026	0.8085	0.6439
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0026	0.8085	0.7587
Echinococcus granulosus	Tubulin alpha 1 chain	0.0026	0.8085	0.6439
Schistosoma mansoni	tubulin subunit alpha	0.0026	0.8085	0.6439
Brugia malayi	Tubulin alpha-2 chain	0.0026	0.8085	0.8085
Loa Loa (eye worm)	animal heme peroxidase	0.003	1	1
Trypanosoma brucei	beta tubulin	0.002	0.462	0.5715
Trichomonas vaginalis	tubulin beta chain, putative	0.0026	0.8085	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0026	0.8085	0.6439
Leishmania major	alpha tubulin	0.0026	0.8085	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.002	0.462	0.3222
Brugia malayi	Blistered cuticle protein 3	0.003	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0026	0.8085	1
Leishmania major	alpha tubulin	0.0026	0.8085	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0026	0.8085	1
Trypanosoma brucei	alpha tubulin	0.0026	0.8085	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0026	0.8085	0.6439
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Leishmania major	alpha tubulin	0.0026	0.8085	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0026	0.8085	0.6439
Leishmania major	alpha tubulin	0.0026	0.8085	1
Brugia malayi	tubulin alpha-2 chain	0.0026	0.8085	0.8085
Trichomonas vaginalis	tubulin beta chain, putative	0.0026	0.8085	1
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Plasmodium falciparum	alpha tubulin 2	0.0026	0.8085	1
Onchocerca volvulus	Peroxidasin homolog	0.003	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0026	0.8085	0.6439
Onchocerca volvulus	Peroxidase homolog	0.003	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0018	0.3464	0.1765
Brugia malayi	beta-tubulin, identical	0.002	0.462	0.462
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0026	0.8085	1
Trypanosoma brucei	beta tubulin	0.002	0.462	0.5715
Brugia malayi	Animal haem peroxidase family protein	0.003	1	1
Brugia malayi	Animal haem peroxidase family protein	0.003	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0026	0.8085	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0026	0.8085	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0026	0.8085	0.6439
Trypanosoma brucei	epsilon tubulin	0.002	0.462	0.5715
Loa Loa (eye worm)	tubulin alpha 2	0.0018	0.3464	0.1765
Brugia malayi	alpha-tubulin	0.0026	0.8085	0.8085
Loa Loa (eye worm)	hypothetical protein	0.0026	0.8085	0.7587
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0026	0.8085	1
Brugia malayi	Tubulin alpha-2 chain	0.0026	0.8085	0.8085
Echinococcus multilocularis	tubulin alpha chain	0.0026	0.8085	0.6439
Trypanosoma brucei	beta tubulin	0.002	0.462	0.5715
Trichomonas vaginalis	tubulin epsilon chain, putative	0.002	0.462	0.5715
Brugia malayi	Tubulin gamma chain	0.002	0.462	0.462
Leishmania major	alpha tubulin	0.0026	0.8085	1
Loa Loa (eye worm)	hypothetical protein	0.003	1	1
Brugia malayi	tubulin alpha chain - mouse	0.0026	0.8085	0.8085
Echinococcus granulosus	Tubulin alpha 1 chain	0.0026	0.8085	0.6439
Trichomonas vaginalis	tubulin gamma chain, putative	0.002	0.462	0.5715
Echinococcus granulosus	tubulin alpha 1C chain	0.0026	0.8085	0.6439
Loa Loa (eye worm)	alpha-tubulin	0.0026	0.8085	0.7587
Entamoeba histolytica	tubulin alpha chain, putative	0.0026	0.8085	1
Trichomonas vaginalis	tubulin, putative	0.002	0.462	0.5715

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 73 nM	In vitro inhibition of electric eel acetylcholinesterase	ChEMBL.	11495583

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

PubChem: 11026115

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 149195