TDR Targets

Basic information

Technical information

TDR Targets ID: 1408497
Name: [2-(benzoylamino)-2-oxoethyl] 5-methylpyrazin e-2-carboxylate
MW: 299.281 | Formula: C15H13N3O4
H donors: 1 H acceptors: 5 LogP: 1.15 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(=O)c1ccccc1)COC(=O)c1cnc(cn1)C
InChi: 1S/C15H13N3O4/c1-10-7-17-12(8-16-10)15(21)22-9-13(19)18-14(20)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,20)
InChiKey: CJQCQGNZAKYOLZ-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-(benzoylamino)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate
5-methyl-2-pyrazinecarboxylic acid [2-oxo-2-[(oxo-phenylmethyl)amino]ethyl] ester
5-methylpyrazinic acid [2-(benzoylamino)-2-keto-ethyl] ester
[2-oxo-2-(phenylcarbonylamino)ethyl] 5-methylpyrazine-2-carboxylate
ZINC06348773

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutaminase	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245

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
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0023	0.0355	0.1268
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0445	0.0445
Echinococcus granulosus	cathepsin l1	0.0023	0.0355	0.1268
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0023	0.0355	0.0245
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355
Onchocerca volvulus		0.0023	0.0355	0.038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Plasmodium vivax	vivapain-2	0.0023	0.0355	0.1268
Leishmania major	cathepsin L-like protease	0.0023	0.0355	0.0693
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0355	0.1268
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0445	0.0336
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0017	0.0173	0.0618
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0101	0.2797	1
Brugia malayi	cathepsin L-like precursor	0.0016	0.0113	0.0113
Brugia malayi	cytochrome P450	0.0017	0.0173	0.0173
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0355	0.0355
Onchocerca volvulus		0.0023	0.0355	0.038
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.0355	0.1268
Onchocerca volvulus		0.0023	0.0355	0.038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Onchocerca volvulus		0.0023	0.0355	0.038
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0355	0.038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	0.2797	0.2797
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0101	0.2797	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0113	0.0113
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0355	0.1268
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.6476	1
Onchocerca volvulus		0.0023	0.0355	0.038
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.0445	0.0277
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0101	0.2797	0.5
Loa Loa (eye worm)	cytochrome P450	0.0017	0.0173	0.0061
Treponema pallidum	ATP-dependent RNA helicase	0.0101	0.2797	0.5
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0101	0.2797	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0355	0.0355
Toxoplasma gondii	cathepsin CPL	0.0023	0.0355	0.0693
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0355	0.0355
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Echinococcus granulosus	cytochrome P450 2K1	0.0017	0.0173	0.0618
Brugia malayi	Cytochrome P450 family protein	0.0055	0.1359	0.1359
Leishmania major	eukaryotic initiation factor 4a, putative	0.0101	0.2797	1
Brugia malayi	eukaryotic initiation factor 4A	0.0101	0.2797	0.2797
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0101	0.2797	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0355	0.0355
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0023	0.0355	0.1268
Brugia malayi	N-terminal motif family protein	0.0218	0.6476	0.6476
Plasmodium vivax	RNA helicase-1, putative	0.0101	0.2797	1
Echinococcus multilocularis	cysteine protease	0.0023	0.0355	0.1268
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0101	0.2797	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0113	0.0113
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0023	0.0355	0.1268
Schistosoma mansoni	cytochrome P450	0.0017	0.0173	0.0173
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0023	0.0355	0.1268
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0101	0.2797	0.2797
Leishmania major	cathepsin L-like protease	0.0023	0.0355	0.0693
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0101	0.2797	0.4218
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.0445	0.1591
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	0.2797	0.2797
Onchocerca volvulus	Cathepsin F homolog	0.0023	0.0355	0.038
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.0355	0.1268
Leishmania major	cathepsin L-like protease	0.0023	0.0355	0.0693
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.0355	0.1268
Loa Loa (eye worm)	fibroinase	0.0023	0.0355	0.0245
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0445	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2797	0.2714
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.0445	0.1591
Leishmania major	cathepsin L-like protease	0.0023	0.0355	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0218	0.6476	0.6436
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0173	0.0618
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0355	0.0355
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0355	0.0355
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0113	0.0404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.0445	0.1591
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0101	0.2797	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	0.2797	0.2797
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0355	0.0355
Leishmania major	cathepsin L-like protease	0.0023	0.0355	0.0693
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0101	0.2797	0.2797
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Leishmania major	cathepsin L-like protease	0.0023	0.0355	0.0693
Echinococcus multilocularis	cysteine protease	0.0023	0.0355	0.1268
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0023	0.0355	0.1268
Loa Loa (eye worm)	cysteine protease	0.0023	0.0355	0.0245
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0101	0.2797	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Leishmania major	cysteine peptidase A (CPA)	0.0023	0.0355	0.0693
Leishmania major	eukaryotic initiation factor 4a, putative	0.0101	0.2797	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0355	0.1268
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0016	0.0113	0.0404
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0355	0.1268
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0016	0.0113	0.0113
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0017	0.0173	0.0618
Trypanosoma cruzi	cruzipain precursor, putative	0.0023	0.0355	0.1268
Leishmania major	cytochrome p450-like protein	0.0026	0.0445	0.1037
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.0355	0.0355
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0023	0.0355	0.0245
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0113	0.0113
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0101	0.2797	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Loa Loa (eye worm)	ctsf protein	0.0023	0.0355	0.0245
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0173	0.0173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Leishmania major	cathepsin L-like protease	0.0023	0.0355	0.0693
Echinococcus granulosus	cathepsin l1	0.0016	0.0113	0.0404
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0355	0.0355
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0355	0.1268
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0101	0.2797	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0101	0.2797	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0355	0.1268
Mycobacterium leprae	Conserved hypothetical protein	0.0017	0.0173	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0355	0.0245
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0113	0.0113
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0445	0.0445
Leishmania major	cathepsin L-like protease	0.0023	0.0355	0.0693
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0173	0.0618
Onchocerca volvulus		0.0023	0.0355	0.038
Onchocerca volvulus		0.0023	0.0355	0.038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0355	0.0355
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0113	0.0113
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.0355	0.1268
Echinococcus multilocularis		0.0017	0.0173	0.0618
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0101	0.2797	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0355	0.0355
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0355	0.1268
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.1359	0.126
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0355	0.0355
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.0445	0.0336
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0355	0.038
Plasmodium vivax	vivapain-2	0.0023	0.0355	0.1268
Mycobacterium leprae	putative cytochrome p450	0.0017	0.0173	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0355	0.1268
Schistosoma mansoni	hypothetical protein	0.0017	0.0173	0.0173
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0355	0.0355

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.4668 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1562600

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 1408497