TDR Targets

Basic information

Technical information

TDR Targets ID: 1390100
Name: 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl] -4-(3-methoxyphenyl)piperazine hydrochloride
MW: 424.968 | Formula: C20H33ClN6O2
H donors: 0 H acceptors: 3 LogP: 3.41 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC(c1nnnn1CCOC)N1CCN(CC1)c1cccc(c1)OC.Cl
InChi: 1S/C20H32N6O2.ClH/c1-4-5-9-19(20-21-22-23-26(20)14-15-27-2)25-12-10-24(11-13-25)17-7-6-8-18(16-17)28-3;/h6-8,16,19H,4-5,9-15H2,1-3H3;1H
InChiKey: CTMYVIZVRFRENY-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

1-[1-[1-(2-methoxyethyl)-5-tetrazolyl]pentyl]-4-(3-methoxyphenyl)piperazine hydrochloride
1-[1-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine hydrochloride
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-4-(3-methoxy-phenyl)-piperazine
MLS000029920
SMR000004904

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	arachidonate 15-lipoxygenase	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	arachidonate 5 lipoxygenase	arachidonate 15-lipoxygenase	662 aa	590 aa	23.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1357	0.3193
Toxoplasma gondii	ran binding protein	0.0071	0.1357	0.0416
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0071	0.1357	0.1292
Echinococcus granulosus	Zinc finger RanBP2 type	0.0071	0.1357	0.1292
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0071	0.1357	0.1292
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1357	0.3193
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0071	0.1357	0.5
Onchocerca volvulus		0.0052	0.0963	0.1599
Onchocerca volvulus		0.0071	0.1357	0.2689
Brugia malayi	Doublecortin family protein	0.0024	0.0385	0.0696
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.02	0.3998	1
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0608	0.1269
Schistosoma mansoni	rab6-interacting	0.0024	0.0385	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0385	0.0689
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0385	0.0313
Schistosoma mansoni	lipoxygenase	0.0067	0.1262	0.1262
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.02	0.3998	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0071	0.1357	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0963	0.0963
Brugia malayi	YY1-associated factor 2	0.0071	0.1357	0.3198
Leishmania major	hypothetical protein, conserved	0.0071	0.1357	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1357	0.3193
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1357	0.3193
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0071	0.1357	0.3198
Schistosoma mansoni	lipoxygenase	0.0024	0.0385	0.0385
Schistosoma mansoni	TRABID protein (C64 family)	0.0071	0.1357	0.1357
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1357	0.5
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0067	0.1262	0.1196
Echinococcus granulosus	cpg binding protein	0.0037	0.0648	0.0578
Echinococcus granulosus	Polycystic kidney disease protein	0.0024	0.0385	0.0313
Echinococcus multilocularis	cpg binding protein	0.0037	0.0648	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0963	0.2178
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0044
Echinococcus granulosus	SWI:SNF matrix associated	0.02	0.3998	0.3953
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0385	0.0313
Echinococcus granulosus	zinc finger protein Ran binding	0.0071	0.1357	0.1292
Onchocerca volvulus		0.0071	0.1357	0.2689
Schistosoma mansoni	rab6-interacting	0.0024	0.0385	0.0385
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.1357	0.5
Echinococcus multilocularis	RUN	0.0024	0.0385	0.0313
Loa Loa (eye worm)	brahma associated protein	0.02	0.3998	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0044
Schistosoma mansoni	zinc finger protein	0.0071	0.1357	0.1357
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0074	0.0074
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.02	0.3998	0.3953
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.02	0.3998	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0385	0.0313
Schistosoma mansoni	hypothetical protein	0.0071	0.1357	0.1357
Brugia malayi	hypothetical protein	0.0024	0.0385	0.0696
Chlamydia trachomatis	SWIB complex protein	0.02	0.3998	0.5
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0071	0.1357	0.0416
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1357	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0385	0.0689
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0067	0.1262	0.1196
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1357	0.3193
Trichomonas vaginalis	conserved hypothetical protein	0.02	0.3998	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.02	0.3998	0.3953
Leishmania major	hypothetical protein, conserved	0.0071	0.1357	0.5
Schistosoma mansoni	polycystin 1-related	0.0024	0.0385	0.0385
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0071	0.1357	0.5
Brugia malayi	brahma associated protein 60 kDa	0.02	0.3998	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0071	0.1357	0.1292
Schistosoma mansoni	fusion	0.0071	0.1357	0.1357
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0071	0.1357	0.3198
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0071	0.1357	0.5
Plasmodium vivax	hypothetical protein, conserved	0.02	0.3998	1
Echinococcus granulosus	tumor protein p63	0.0356	0.7171	0.715
Schistosoma mansoni	hypothetical protein	0.0024	0.0385	0.0385
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0071	0.1357	0.3198
Onchocerca volvulus		0.0071	0.1357	0.2689
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1403	0.1403
Schistosoma mansoni	brg-1 associated factor	0.02	0.3998	0.3998
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0071	0.1357	0.5
Chlamydia trachomatis	DNA topoisomerase I	0.02	0.3998	0.5
Brugia malayi	SWIB/MDM2 domain containing protein	0.02	0.3998	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.02	0.3998	1
Schistosoma mansoni	hypothetical protein	0.02	0.3998	0.3998
Echinococcus multilocularis	ring and YY1 binding protein	0.0071	0.1357	0.1292
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0071	0.1357	0.3198
Leishmania major	hypothetical protein, conserved	0.0071	0.1357	0.5
Echinococcus multilocularis	Polycystic kidney disease protein	0.0024	0.0385	0.0313
Schistosoma mansoni	RNA binding protein	0.0071	0.1357	0.1357
Echinococcus granulosus	RUN	0.0024	0.0385	0.0313
Schistosoma mansoni	hypothetical protein	0.02	0.3998	0.3998
Echinococcus multilocularis	SWI:SNF matrix associated	0.02	0.3998	0.3953
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1357	0.5
Schistosoma mansoni	hypothetical protein	0.02	0.3998	0.3998
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0608	0.1262
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0071	0.1357	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.02	0.3998	0.3953
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.02	0.3998	0.3953
Echinococcus multilocularis	tumor protein p63	0.0356	0.7171	0.715
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0071	0.1357	0.5
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0385	0.0313
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Echinococcus granulosus	ring and YY1 binding protein	0.0071	0.1357	0.1292
Brugia malayi	brahma associated protein 60 kDa	0.02	0.3998	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0071	0.1357	0.2689
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0071	0.1357	0.2689
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0071	0.1357	0.5
Leishmania major	hypothetical protein, conserved	0.0071	0.1357	0.5
Schistosoma mansoni	loxhd1	0.0024	0.0385	0.0385
Brugia malayi	hypothetical protein	0.0024	0.0385	0.0696
Trypanosoma cruzi	WLM domain containing protein, putative	0.0071	0.1357	0.5
Onchocerca volvulus		0.0035	0.0608	0.0615
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.02	0.3998	1
Leishmania major	hypothetical protein, conserved	0.0071	0.1357	0.5
Onchocerca volvulus		0.02	0.3998	1
Loa Loa (eye worm)	doublecortin family protein	0.0024	0.0385	0.0689
Echinococcus multilocularis	zinc finger protein Ran binding	0.0071	0.1357	0.1292
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.1357	0.5
Schistosoma mansoni	cpg binding protein	0.0035	0.0608	0.0608
Onchocerca volvulus		0.0071	0.1357	0.2689
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.02	0.3998	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference

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: CHEMBL1528060

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1390100