TDR Targets

Basic information

Technical information

TDR Targets ID: 1596424
Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazin e-2-carboxylate
MW: 250.254 | Formula: C11H14N4O3
H donors: 1 H acceptors: 5 LogP: -3.03 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)C(=O)c1nccnc1C(=O)O
InChi: 1S/C11H14N4O3/c1-14-4-6-15(7-5-14)10(16)8-9(11(17)18)13-3-2-12-8/h2-3H,4-7H2,1H3,(H,17,18)
InChiKey: NGZFQQFXYRLUJR-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

3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-pyrazinecarboxylate
3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazinate
3-(4-methylpiperazin-4-ium-1-yl)carbonylpyrazine-2-carboxylate
ZINC04324488

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)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Brugia malayi	Cathepsin L-like precursor	0.0022	0.1247	0.1247
Loa Loa (eye worm)	cytochrome P450 family protein	0.0063	0.8154	0.8154
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.002	0.0858	0.0858
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.003	0.2533	1
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.1247	0.1247
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0074	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Treponema pallidum	ATP-dependent RNA helicase	0.0074	1	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.002	0.0858	0.0858
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Plasmodium vivax	RNA helicase-1, putative	0.0074	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0022	0.1247	0.1247
Echinococcus granulosus	cytochrome P450 2K1	0.002	0.0858	0.0858
Brugia malayi	cytochrome P450	0.002	0.0858	0.0858
Onchocerca volvulus		0.0022	0.1247	0.1247
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0074	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.2533	0.2533
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.1247	0.1247
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0074	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0022	0.1247	0.1247
Brugia malayi	Cytochrome P450 family protein	0.0063	0.8154	0.8154
Toxoplasma gondii	cathepsin CPL	0.0022	0.1247	0.0426
Loa Loa (eye worm)	cysteine protease	0.0022	0.1247	0.1247
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0074	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.1247	0.1247
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0022	0.1247	0.1247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0074	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1247	0.1247
Schistosoma mansoni	hypothetical protein	0.002	0.0858	0.0858
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0074	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.1247	0.0426
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.1247	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.2533	0.2533
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.2533	0.2533
Onchocerca volvulus		0.0022	0.1247	0.1247
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0074	1	1
Entamoeba histolytica	cysteine protease, putative	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0074	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.1247	0.1247
Onchocerca volvulus		0.0022	0.1247	0.1247
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Onchocerca volvulus		0.0022	0.1247	0.1247
Echinococcus multilocularis	cysteine protease	0.0022	0.1247	0.0426
Leishmania major	cathepsin L-like protease	0.0022	0.1247	0.0426
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0022	0.1247	0.1247
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0074	1	0.5
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0074	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Brugia malayi	Cytochrome P450 family protein	0.003	0.2533	0.2533
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Leishmania major	cathepsin L-like protease	0.0022	0.1247	0.0426
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0074	1	1
Loa Loa (eye worm)	hypothetical protein	0.0074	1	1
Leishmania major	cathepsin L-like protease	0.0022	0.1247	0.0426
Leishmania major	cathepsin L-like protease	0.0022	0.1247	0.0426
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Brugia malayi	Cathepsin L-like precursor	0.0022	0.1247	0.1247
Leishmania major	cathepsin L-like protease	0.0022	0.1247	0.0426
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.1247	0.1247
Onchocerca volvulus		0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Brugia malayi	Cathepsin L-like precursor	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Leishmania major	eukaryotic initiation factor 4a, putative	0.0074	1	1
Leishmania major	cathepsin L-like protease	0.0022	0.1247	0.0426
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0074	1	1
Mycobacterium leprae	putative cytochrome p450	0.002	0.0858	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0074	1	1
Trypanosoma brucei	cytochrome P450, putative	0.003	0.2533	0.1832
Brugia malayi	Cytochrome P450 family protein	0.002	0.0858	0.0858
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Onchocerca volvulus		0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Leishmania major	cathepsin L-like protease	0.0022	0.1247	0.0426
Loa Loa (eye worm)	ctsf protein	0.0022	0.1247	0.1247
Brugia malayi	Cathepsin L-like precursor	0.0022	0.1247	0.1247
Schistosoma mansoni	cytochrome P450	0.002	0.0858	0.0858
Brugia malayi	Cathepsin L-like precursor	0.0022	0.1247	0.1247
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.1247	0.1247
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.002	0.0858	0.0858
Leishmania major	cathepsin L-like protease	0.0022	0.1247	0.0426
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0074	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Echinococcus granulosus	cathepsin l1	0.0022	0.1247	0.1247
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0074	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.1247	0.1247
Leishmania major	cytochrome p450-like protein	0.003	0.2533	0.1832
Leishmania major	eukaryotic initiation factor 4a, putative	0.0074	1	1
Loa Loa (eye worm)	fibroinase	0.0022	0.1247	0.1247
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0074	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.1247	0.1247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0074	1	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.1247	0.1247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Brugia malayi	Cytochrome P450 family protein	0.003	0.2533	0.2533
Loa Loa (eye worm)	CYP4Cod1	0.003	0.2533	0.2533
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.1247	0.0426
Mycobacterium leprae	Conserved hypothetical protein	0.002	0.0858	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Echinococcus multilocularis	cysteine protease	0.0022	0.1247	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.1247	0.0426
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.1247	0.0426
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.2533	0.2533
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0074	1	1
Onchocerca volvulus		0.0022	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.1247	0.1247
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.1247	0.1247
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0022	0.1247	0.1247
Leishmania major	cysteine peptidase A (CPA)	0.0022	0.1247	0.0426
Loa Loa (eye worm)	cytochrome P450	0.002	0.0858	0.0858

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 0 %	Inhibition of His-tagged recombinant human IDO1 expressed in Escherichia coli using tryptophan as substrate at 200 uM by spectrophotometric analysis	ChEMBL.	22112538

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: CHEMBL1935093

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 1596424