TDR Targets

Basic information

Technical information

TDR Targets ID: 1330648
Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl] -2-oxoethyl] 2-ethoxypyridine-3-carboxylate
MW: 467.923 | Formula: C20H22ClN3O6S
H donors: 0 H acceptors: 5 LogP: 2.15 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ncccc1C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
InChi: 1S/C20H22ClN3O6S/c1-2-29-19-17(4-3-9-22-19)20(26)30-14-18(25)23-10-12-24(13-11-23)31(27,28)16-7-5-15(21)6-8-16/h3-9H,2,10-14H2,1H3
InChiKey: HGGNPULUYILEJV-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-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate
2-ethoxy-3-pyridinecarboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester
2-ethoxynicotinic acid [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-keto-ethyl] ester
MLS000097731
SMR000063932
T5255345
MLS000863389

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	glutaminase	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Cathepsin B precursor	0.0197	0.1566	0.4333
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Loa Loa (eye worm)	glutaminase	0.033	0.5053	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.021	0.1909	0.1823
Onchocerca volvulus		0.021	0.1909	1
Giardia lamblia	Cathepsin B precursor	0.0197	0.1566	0.4333
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0275	0.3614	0.3547
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0197	0.1566	0.1477
Loa Loa (eye worm)	fibroinase	0.021	0.1909	0.1823
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0275	0.3614	1
Trichomonas vaginalis	glutaminase, putative	0.033	0.5053	1
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Brugia malayi	glutaminase DH11.1	0.033	0.5053	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Leishmania major	cathepsin L-like protease	0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Leishmania major	cathepsin L-like protease	0.021	0.1909	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0519	1	1
Brugia malayi	Cathepsin L-like precursor	0.021	0.1909	0.1823
Onchocerca volvulus	Cathepsin L homolog	0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.021	0.1909	0.3646
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0197	0.1566	0.2953
Plasmodium vivax	vivapain-2	0.021	0.1909	0.5282
Loa Loa (eye worm)	hypothetical protein	0.021	0.1909	0.1823
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.021	0.1909	0.5282
Entamoeba histolytica	cysteine protease, putative	0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Onchocerca volvulus		0.021	0.1909	1
Leishmania major	cathepsin L-like protease	0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Loa Loa (eye worm)	cathepsin B	0.0197	0.1566	0.1477
Leishmania major	cathepsin L-like protease	0.021	0.1909	1
Loa Loa (eye worm)	glutaminase 2	0.033	0.5053	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Echinococcus granulosus	cathepsin L cysteine proteinase	0.021	0.1909	0.1823
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0191	0.1404	0.2626
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0275	0.3614	1
Brugia malayi	Cathepsin L-like precursor	0.021	0.1909	0.1823
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.1909	0.1823
Toxoplasma gondii	cathepsin CPL	0.021	0.1909	0.5282
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.021	0.1909	0.1823
Leishmania major	cysteine peptidase A (CPA)	0.021	0.1909	1
Loa Loa (eye worm)	ctsf protein	0.021	0.1909	0.1823
Leishmania major	cathepsin L-like protease	0.021	0.1909	1
Echinococcus granulosus	cathepsin l1	0.021	0.1909	0.1823
Schistosoma mansoni	cathepsin F (C01 family)	0.021	0.1909	0.1823
Loa Loa (eye worm)	cysteine protease	0.021	0.1909	0.1823
Schistosoma mansoni	glutaminase	0.033	0.5053	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Brugia malayi	Cathepsin L-like precursor	0.021	0.1909	0.1823
Leishmania major	cathepsin L-like protease	0.021	0.1909	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.1909	0.1823
Giardia lamblia	Cathepsin B precursor	0.0197	0.1566	0.4333
Brugia malayi	Cathepsin L-like precursor	0.021	0.1909	0.1823
Onchocerca volvulus		0.021	0.1909	1
Onchocerca volvulus	Cathepsin F homolog	0.021	0.1909	1
Leishmania major	cathepsin L-like protease	0.021	0.1909	1
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.1909	0.1823
Brugia malayi	Cathepsin L-like precursor	0.021	0.1909	0.1823
Onchocerca volvulus		0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0275	0.3614	1
Leishmania major	cathepsin L-like protease	0.021	0.1909	1
Onchocerca volvulus		0.021	0.1909	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.021	0.1909	0.5282
Onchocerca volvulus	Cathepsin L homolog	0.021	0.1909	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0275	0.3614	1
Brugia malayi	Papain family cysteine protease containing protein	0.021	0.1909	0.1823
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Onchocerca volvulus		0.021	0.1909	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.021	0.1909	0.5282
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Schistosoma mansoni	cathepsin F (C01 family)	0.021	0.1909	0.1823
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.1909	1
Trypanosoma cruzi	cruzipain precursor, putative	0.021	0.1909	0.1823
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0519	1	1
Toxoplasma gondii	cathepsin B	0.0197	0.1566	0.4333
Mycobacterium ulcerans	glutaminase	0.033	0.5053	0.5
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0275	0.3614	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.1909	0.3646
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.1909	0.1823
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0519	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Echinococcus multilocularis	cathepsin b	0.0519	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0519	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0275	0.3614	1
Echinococcus granulosus	cathepsin b	0.0519	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.021	0.1909	0.1823
Loa Loa (eye worm)	hypothetical protein	0.0519	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0519	1	1
Echinococcus granulosus	cathepsin b	0.0519	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0197	0.1566	0.1477
Plasmodium vivax	vivapain-2	0.021	0.1909	0.5282
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.1909	0.3646
Onchocerca volvulus		0.021	0.1909	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.021	0.1909	0.3646
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.1909	1
Toxoplasma gondii	cathepsin CPC1	0.0275	0.3614	1
Echinococcus multilocularis	cathepsin b	0.0519	1	1
Brugia malayi	Cathepsin L-like precursor	0.021	0.1909	0.1823

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.5849 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1448115

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 1330648