TDR Targets

Basic information

Technical information

TDR Targets ID: 1409607
Name: [2-[(2-chloro-5-morpholin-4-ylsulfonylphenyl) amino]-2-oxoethyl] 2-chloropyridine-3-carboxy late
MW: 474.315 | Formula: C18H17Cl2N3O6S
H donors: 1 H acceptors: 5 LogP: 1.97 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)COC(=O)c1cccnc1Cl
InChi: 1S/C18H17Cl2N3O6S/c19-14-4-3-12(30(26,27)23-6-8-28-9-7-23)10-15(14)22-16(24)11-29-18(25)13-2-1-5-21-17(13)20/h1-5,10H,6-9,11H2,(H,22,24)
InChiKey: FWYVDWSXUFYMLU-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-[(2-chloro-5-morpholinosulfonyl-phenyl)amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate
2-chloro-3-pyridinecarboxylic acid [2-[(2-chloro-5-morpholinosulfonylphenyl)amino]-2-oxoethyl] ester
2-chloronicotinic acid [2-[(2-chloro-5-morpholinosulfonyl-phenyl)amino]-2-keto-ethyl] ester
[2-[(2-chloro-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate
T5289493

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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0044	0.0568	0.5
Onchocerca volvulus		0.0044	0.0568	0.0568
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0568	0.1883
Leishmania major	cysteine peptidase A (CPA)	0.0044	0.0568	0.5
Trichomonas vaginalis	peptide N-glycanase, putative	0.0107	0.3016	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0107	0.3016	0.5
Leishmania major	cathepsin L-like protease	0.0044	0.0568	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Echinococcus granulosus	cathepsin l1	0.0044	0.0568	0.1883
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0568	1
Onchocerca volvulus	Cathepsin F homolog	0.0044	0.0568	0.0568
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0044	0.0568	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0044	0.0568	0.0568
Onchocerca volvulus		0.0044	0.0568	0.0568
Leishmania major	cathepsin L-like protease	0.0044	0.0568	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0107	0.3016	0.5
Leishmania major	cathepsin L-like protease	0.0044	0.0568	0.5
Schistosoma mansoni	hypothetical protein	0.0107	0.3016	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Echinococcus multilocularis	Transglutaminase	0.0107	0.3016	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0568	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0044	0.0568	1
Leishmania major	cathepsin L-like protease	0.0044	0.0568	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0044	0.0568	0.1883
Giardia lamblia	Hypothetical protein	0.0107	0.3016	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Onchocerca volvulus		0.0044	0.0568	0.0568
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0568	0.1883
Onchocerca volvulus		0.0044	0.0568	0.0568
Onchocerca volvulus		0.0044	0.0568	0.0568
Onchocerca volvulus	Cathepsin L homolog	0.0044	0.0568	0.0568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Onchocerca volvulus		0.0044	0.0568	0.0568
Leishmania major	cathepsin L-like protease	0.0044	0.0568	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Mycobacterium ulcerans	hypothetical protein	0.0107	0.3016	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0044	0.0568	0.1883
Schistosoma mansoni	cathepsin F (C01 family)	0.0044	0.0568	0.1883
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Mycobacterium tuberculosis	Hypothetical protein	0.0107	0.3016	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0568	0.1883
Mycobacterium ulcerans	hypothetical protein	0.0107	0.3016	0.5
Mycobacterium ulcerans	putative transglutaminase-like protein	0.0107	0.3016	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0107	0.3016	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0044	0.0568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Plasmodium vivax	vivapain-2	0.0044	0.0568	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0044	0.0568	0.1883
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0044	0.0568	1
Brugia malayi	Thioredoxin family protein	0.0107	0.3016	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Echinococcus granulosus	Transglutaminase	0.0107	0.3016	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Plasmodium vivax	vivapain-2	0.0044	0.0568	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Brugia malayi	Papain family cysteine protease containing protein	0.0044	0.0568	0.1883
Toxoplasma gondii	cathepsin CPL	0.0044	0.0568	0.5
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0568	0.1883
Mycobacterium leprae	Conserved hypothetical protein	0.0107	0.3016	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Mycobacterium ulcerans	transglutaminase family protein	0.0107	0.3016	0.5
Onchocerca volvulus		0.0044	0.0568	0.0568
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Mycobacterium tuberculosis	Conserved protein	0.0107	0.3016	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0044	0.0568	0.1883
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0568	0.1883
Leishmania major	cathepsin L-like protease	0.0044	0.0568	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Leishmania major	cathepsin L-like protease	0.0044	0.0568	0.5
Mycobacterium tuberculosis	Long conserved protein	0.0107	0.3016	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0044	0.0568	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Loa Loa (eye worm)	cysteine protease	0.0044	0.0568	1
Leishmania major	cathepsin L-like protease	0.0044	0.0568	0.5
Loa Loa (eye worm)	fibroinase	0.0044	0.0568	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0568	1
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0568	0.1883
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0568	0.1883
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0568	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Loa Loa (eye worm)	ctsf protein	0.0044	0.0568	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0568	0.1883
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0568	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0568	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0044	0.0568	0.1883
Giardia lamblia	Transglutaminase/protease, putative	0.0107	0.3016	0.5

Activities

Activity type	Activity value	Assay description	Source	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

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: CHEMBL1551032

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 1409607