TDR Targets

Basic information

Technical information

TDR Targets ID: 1496748
Name: [2-[[3-(dimethylsulfamoyl)-4-methylphenyl]ami no]-2-oxoethyl] 5-methylpyrazine-2-carboxylat e
MW: 392.43 | Formula: C17H20N4O5S
H donors: 1 H acceptors: 6 LogP: 0.78 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(c(c1)S(=O)(=O)N(C)C)C)COC(=O)c1cnc(cn1)C
InChi: 1S/C17H20N4O5S/c1-11-5-6-13(7-15(11)27(24,25)21(3)4)20-16(22)10-26-17(23)14-9-18-12(2)8-19-14/h5-9H,10H2,1-4H3,(H,20,22)
InChiKey: ITDVLWXUJDYKET-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-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate
5-methyl-2-pyrazinecarboxylic acid [2-[[3-(dimethylsulfamoyl)-4-methylphenyl]amino]-2-oxoethyl] ester
5-methylpyrazinic acid [2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-keto-ethyl] ester
T5278658
ZINC05889975
MLS000774099
SMR000365104

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
Giardia lamblia	Cathepsin B precursor	0.006	0	0.5
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Giardia lamblia	Cathepsin L-like protease	0.006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1791	0.1791
Trypanosoma cruzi	cruzipain precursor, putative	0.0108	0.1791	0.1791
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0169	0.4054	0.4054
Echinococcus multilocularis	cysteine protease	0.0328	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0219	0.5946	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0328	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0328	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Leishmania major	cathepsin L-like protease	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0219	0.5946	0.5946
Leishmania major	cathepsin L-like protease	0.0328	1	1
Toxoplasma gondii	cathepsin CPL	0.0328	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0328	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0219	0.5946	0.5946
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.5946	0.5946
Plasmodium vivax	vivapain-3	0.0169	0.4054	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0328	1	1
Giardia lamblia	Cathepsin B precursor	0.006	0	0.5
Loa Loa (eye worm)	fibroinase	0.0328	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Echinococcus granulosus	cysteine protease	0.0169	0.4054	0.4054
Onchocerca volvulus		0.0328	1	1
Onchocerca volvulus		0.0328	1	1
Brugia malayi	cathepsin L-like precursor	0.0219	0.5946	0.5946
Giardia lamblia	Cathepsin B precursor	0.006	0	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0169	0.4054	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0328	1	1
Giardia lamblia	Cathepsin B precursor	0.006	0	0.5
Leishmania major	cathepsin L-like protease	0.0328	1	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.5946	0.5946
Trypanosoma cruzi	cysteine peptidase, putative	0.0169	0.4054	0.4054
Giardia lamblia	Cathepsin L precursor	0.006	0	0.5
Leishmania major	cathepsin L-like protease	0.0328	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0219	0.5946	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Plasmodium vivax	vivapain-1	0.0169	0.4054	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0328	1	1
Giardia lamblia	Encystation-specific protease	0.006	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Brugia malayi	Cathepsin L-like precursor	0.0328	1	1
Giardia lamblia	Cysteine protease	0.006	0	0.5
Echinococcus granulosus	cathepsin L cysteine protease	0.0169	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0169	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0219	0.5946	0.5946
Giardia lamblia	Cathepsin B precursor	0.006	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Brugia malayi	Cathepsin L-like precursor	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0108	0.1791	0.1791
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0169	0.4054	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0328	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Brugia malayi	Cathepsin L-like precursor	0.0328	1	1
Onchocerca volvulus		0.0328	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0328	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.006	0	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0219	0.5946	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0328	1	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0169	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Brugia malayi	Cathepsin L-like precursor	0.0108	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0108	0.1791	0.1791
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0169	0.4054	0.4054
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0169	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0328	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0328	1	1
Leishmania major	cathepsin L-like protease	0.0328	1	1
Schistosoma mansoni	hypothetical protein	0.0195	0.5051	0.5051
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0169	0.4054	0.4054
Giardia lamblia	Cathepsin L-like protease	0.006	0	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0169	0.4054	0.4054
Trypanosoma cruzi	cysteine protease, putative	0.0169	0.4054	0.4054
Onchocerca volvulus		0.0328	1	1
Giardia lamblia	Cysteine protease	0.006	0	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0328	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Giardia lamblia	Hypothetical protein	0.006	0	0.5
Echinococcus granulosus	cathepsin l1	0.0219	0.5946	0.5946
Giardia lamblia	Cathepsin L precursor	0.006	0	0.5
Plasmodium vivax	vivapain-2	0.0328	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0169	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0169	0.4054	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0328	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0328	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0169	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Echinococcus multilocularis	geminin	0.0195	0.5051	0.5051
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Giardia lamblia	Cathepsin L precursor	0.006	0	0.5
Echinococcus multilocularis	cathepsin L	0.0169	0.4054	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0169	0.4054	0.4054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0328	1	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1791	0.1791
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0328	1	1
Giardia lamblia	Cathepsin B precursor	0.006	0	0.5
Trypanosoma cruzi	cysteine proteinase, putative	0.0169	0.4054	0.4054
Schistosoma mansoni	hypothetical protein	0.0195	0.5051	0.5051
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0328	1	1
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Schistosoma mansoni	cathepsin s	0.0108	0.1791	0.1791
Echinococcus multilocularis	cathepsin L cysteine protease	0.0328	1	1
Brugia malayi	Cathepsin L-like precursor	0.0219	0.5946	0.5946
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0169	0.4054	0.4054
Giardia lamblia	Cathepsin L precursor	0.006	0	0.5
Giardia lamblia	Cathepsin B precursor	0.006	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Echinococcus granulosus	cathepsin L	0.0169	0.4054	0.4054
Loa Loa (eye worm)	cysteine protease	0.0328	1	1
Loa Loa (eye worm)	ctsf protein	0.0328	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Plasmodium vivax	unspecified product	0.0169	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0328	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.5946	0.5946
Plasmodium vivax	unspecified product	0.0108	0.1791	0.1791
Trypanosoma cruzi	cysteine peptidase, putative	0.0328	1	1
Onchocerca volvulus		0.0219	0.5946	0.5946
Brugia malayi	Cathepsin L-like precursor	0.0219	0.5946	0.5946
Onchocerca volvulus		0.0328	1	1
Brugia malayi	Cathepsin L-like precursor	0.0328	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0169	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.006	0	0.5
Leishmania major	cathepsin L-like protease	0.0328	1	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1791	0.1791
Giardia lamblia	Hypothetical protein	0.006	0	0.5
Giardia lamblia	Cysteine protease	0.006	0	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0328	1	1
Giardia lamblia	Cathepsin L precursor	0.006	0	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0328	1	1
Giardia lamblia	Cathepsin B precursor	0.006	0	0.5
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.006	0	0.5
Giardia lamblia	Cathepsin L precursor	0.006	0	0.5
Giardia lamblia	Cysteine protease	0.006	0	0.5
Plasmodium vivax	vivapain-2	0.0328	1	1
Leishmania major	cathepsin L-like protease	0.0328	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0328	1	1
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Leishmania major	cathepsin L-like protease	0.0328	1	1
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Entamoeba histolytica	cysteine proteinase 2	0.0169	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0169	0.4054	0.4054
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0169	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0328	1	1
Echinococcus granulosus	geminin	0.0195	0.5051	0.5051
Onchocerca volvulus		0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Echinococcus granulosus	cathepsin l1	0.0328	1	1
Echinococcus multilocularis	cysteine protease	0.0328	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0328	1	1
Onchocerca volvulus		0.0328	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0169	0.4054	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.0108	0.1791	0.1791
Brugia malayi	Papain family cysteine protease containing protein	0.0328	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	16.5113 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	56.2341 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1718315

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 1496748