TDR Targets

Basic information

Technical information

TDR Targets ID: 1374322
Name: 2-ethoxy-N-(4-methoxy-3-morpholin-4-ylsulfony lphenyl)pyridine-3-carboxamide
MW: 421.467 | Formula: C19H23N3O6S
H donors: 1 H acceptors: 4 LogP: 1.1 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ncccc1C(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)OC
InChi: 1S/C19H23N3O6S/c1-3-28-19-15(5-4-8-20-19)18(23)21-14-6-7-16(26-2)17(13-14)29(24,25)22-9-11-27-12-10-22/h4-8,13H,3,9-12H2,1-2H3,(H,21,23)
InChiKey: IVTRAFIWZPAORP-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-ethoxy-N-(4-methoxy-3-morpholinosulfonyl-phenyl)pyridine-3-carboxamide
2-ethoxy-N-(4-methoxy-3-morpholinosulfonylphenyl)-3-pyridinecarboxamide
2-ethoxy-N-(4-methoxy-3-morpholinosulfonyl-phenyl)nicotinamide
2-ethoxy-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)pyridine-3-carboxamide
T5423034
ZINC06613088

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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)	hypothetical protein	0.0052	0.0107	0.0326
Mycobacterium ulcerans	hypothetical protein	0.0043	0	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0052	0.0107	0.0326
Schistosoma mansoni	sodium/chloride dependent transporter	0.0052	0.0107	0.0124
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0052	0.0107	0.1298
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0052	0.0107	0.0124
Mycobacterium leprae	conserved hypothetical protein	0.0043	0	0.5
Onchocerca volvulus		0.0052	0.0107	0.0326
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0052	0.0107	0.0107
Entamoeba histolytica	kinesin, putative	0.0109	0.0826	0.5
Echinococcus granulosus	serotonin transporter	0.0307	0.3291	0.3291
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0	0.5
Loa Loa (eye worm)	norepinephrine transporter	0.0307	0.3291	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0	0.5
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0052	0.0107	0.1298
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0052	0.0107	0.5
Echinococcus multilocularis	serotonin transporter	0.0307	0.3291	0.3291
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0	0.5
Echinococcus granulosus	sodium and chloride dependent glycine	0.0052	0.0107	0.0107
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0307	0.3291	0.3814
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0052	0.0107	0.0124
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0052	0.0107	0.0326
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0052	0.0107	0.0107
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0052	0.0107	0.1298
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0052	0.0107	0.0124
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0052	0.0107	0.0107
Onchocerca volvulus		0.0307	0.3291	1
Plasmodium vivax	kinesin-5	0.0109	0.0826	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0052	0.0107	0.0326
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0109	0.0826	0.2509
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0052	0.0107	0.0326
Toxoplasma gondii	hypothetical protein	0.0052	0.0107	0.1298
Echinococcus multilocularis	kinesin family 1	0.0843	1	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0052	0.0107	0.0107
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0052	0.0107	0.0107
Trichomonas vaginalis	esterase, putative	0.0043	0	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0052	0.0107	0.0124
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0052	0.0107	0.0107
Plasmodium falciparum	kinesin-5	0.0109	0.0826	1
Schistosoma mansoni	kinesin eg-5	0.0109	0.0826	0.0957
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0052	0.0107	0.0107
Loa Loa (eye worm)	cytochrome P450 family protein	0.0057	0.0165	0.0501
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0	0.5
Brugia malayi	Kinesin motor domain containing protein	0.0109	0.0826	0.2509
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0052	0.0107	0.0124
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0107	0.0326
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0052	0.0107	0.0124
Leishmania major	hypothetical protein, conserved	0.0043	0	0.5
Treponema pallidum	sodium- and chloride- dependent transporter	0.0307	0.3291	0.5
Brugia malayi	Cytochrome P450 family protein	0.0057	0.0165	0.0501
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0235	0.2395	0.7277
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0052	0.0107	0.0124
Brugia malayi	follicle stimulating hormone receptor	0.0235	0.2395	0.7277
Loa Loa (eye worm)	hypothetical protein	0.0307	0.3291	1
Giardia lamblia	Kinesin-5	0.0109	0.0826	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0052	0.0107	0.0124
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0107	0.0326
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0052	0.0107	0.0326
Plasmodium vivax	amine transporter, putative	0.0052	0.0107	0.1298
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0052	0.0107	0.0124
Schistosoma mansoni	hypothetical protein	0.0733	0.863	1
Plasmodium vivax	hypothetical protein, conserved	0.0052	0.0107	0.1298
Loa Loa (eye worm)	hypothetical protein	0.0307	0.3291	1
Brugia malayi	hypothetical protein	0.0052	0.0107	0.0326
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0307	0.3291	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0052	0.0107	0.0107
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0307	0.3291	1
Loa Loa (eye worm)	hypothetical protein	0.0307	0.3291	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0052	0.0107	0.0124
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2931	1
Onchocerca volvulus		0.0052	0.0107	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0107	0.0326
Mycobacterium ulcerans	beta-lactamase	0.0043	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0107	0.0326
Schistosoma mansoni	sodium/chloride dependent transporter	0.0307	0.3291	0.3814
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0107	0.0326
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0052	0.0107	0.0326
Echinococcus granulosus	sodium and chloride dependent glycine	0.0052	0.0107	0.0107
Toxoplasma gondii	hypothetical protein	0.0052	0.0107	0.1298
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0	0.5
Onchocerca volvulus		0.0052	0.0107	0.0326
Mycobacterium ulcerans	lipase LipD	0.0043	0	0.5
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0052	0.0107	0.0107
Toxoplasma gondii	kinesin motor domain-containing protein	0.0109	0.0826	1
Loa Loa (eye worm)	serotonin transporter b	0.0307	0.3291	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0107	0.0326
Mycobacterium leprae	Probable lipase LipE	0.0043	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	18.526 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)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	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)	89.1251 uM	PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory)	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: CHEMBL1496442

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 1374322