TDR Targets

Basic information

Technical information

TDR Targets ID: 1347121
Name: 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-met hylpyridin-2-yl)benzenesulfonamide
MW: 357.427 | Formula: C18H19N3O3S
H donors: 1 H acceptors: 4 LogP: 3.38 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1S(=O)(=O)Nc1ccc(cn1)C)c1onc(c1)C
InChi: 1S/C18H19N3O3S/c1-4-14-6-7-15(16-9-13(3)20-24-16)10-17(14)25(22,23)21-18-8-5-12(2)11-19-18/h5-11H,4H2,1-3H3,(H,19,21)
InChiKey: SBZZHUPLSJSZBB-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-ethyl-5-(3-methylisoxazol-5-yl)-N-(5-methyl-2-pyridyl)benzenesulfonamide
2-ethyl-5-(3-methyl-5-isoxazolyl)-N-(5-methyl-2-pyridyl)benzenesulfonamide
G008-4563
NCGC00128079-01

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	fructose-bisphosphate aldolase, putative	0.0353	0.5095	1
Loa Loa (eye worm)	animal heme peroxidase	0.0141	0.1609	0.3975
Echinococcus granulosus	cathepsin b	0.0134	0.1491	0.9266
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.1491	0.3683
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Loa Loa (eye worm)	hypothetical protein	0.0289	0.4048	1
Onchocerca volvulus		0.0141	0.1609	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0141	0.1609	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.5095	1
Echinococcus multilocularis	cathepsin b	0.0134	0.1491	0.9266
Brugia malayi	cathepsin B-like cysteine proteinase	0.0134	0.1491	0.3683
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0134	0.1491	1
Brugia malayi	Blistered cuticle protein 3	0.0141	0.1609	0.3975
Echinococcus granulosus	biogenic amine 5HT receptor	0.0123	0.1312	0.8153
Onchocerca volvulus		0.0141	0.1609	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1491	0.3683
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.1491	0.3683
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.2123	0.2123
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1312	0.324
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0123	0.1312	0.324
Brugia malayi	hypothetical protein	0.0141	0.1609	0.3975
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.5095	0.5
Loa Loa (eye worm)	hypothetical protein	0.0289	0.4048	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0134	0.1491	0.3683
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.1491	0.3683
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.5095	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.5095	0.5
Onchocerca volvulus	Peroxidase homolog	0.0141	0.1609	1
Onchocerca volvulus	Peroxidasin homolog	0.0141	0.1609	1
Loa Loa (eye worm)	animal heme peroxidase	0.0141	0.1609	0.3975
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1312	0.324
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.2123	0.2123
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.5095	1
Brugia malayi	Peroxidasin	0.0141	0.1609	0.3975
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0044	0.0012	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Brugia malayi	Animal haem peroxidase family protein	0.0141	0.1609	0.3975
Echinococcus granulosus	peroxidasin	0.0141	0.1609	1
Loa Loa (eye worm)	animal heme peroxidase	0.0141	0.1609	0.3975
Onchocerca volvulus	Peroxidasin homolog	0.0141	0.1609	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0044	0.0012	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.5095	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Echinococcus multilocularis	cathepsin b	0.0134	0.1491	0.9266
Echinococcus multilocularis	serotonin receptor	0.0123	0.1312	0.8153
Brugia malayi	Animal haem peroxidase family protein	0.0141	0.1609	0.3975
Onchocerca volvulus	Peroxidase homolog	0.0141	0.1609	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3857	0.3857
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.5095	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.5095	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0044	0.0012	0.0031
Onchocerca volvulus	Dual oxidase homolog	0.0141	0.1609	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Brugia malayi	Animal haem peroxidase family protein	0.0141	0.1609	0.3975
Toxoplasma gondii	cathepsin B	0.0044	0.0012	0.0012
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.0651	1	1
Loa Loa (eye worm)	cathepsin B	0.0044	0.0012	0.0031
Schistosoma mansoni	peroxidasin	0.0141	0.1609	0.3975
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.5095	1
Mycobacterium ulcerans	pantoate--beta-alanine ligase	0.0651	1	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Loa Loa (eye worm)	hypothetical protein	0.0254	0.3466	0.8564
Schistosoma mansoni	peroxidasin	0.0141	0.1609	0.3975
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Echinococcus granulosus	cathepsin b	0.0134	0.1491	0.9266
Toxoplasma gondii	pantoate-beta-alanine ligase	0.0651	1	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Loa Loa (eye worm)	animal heme peroxidase	0.0141	0.1609	0.3975
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.2123	0.2123
Echinococcus multilocularis	peroxidasin	0.0141	0.1609	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.5095	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0044	0.0012	0.0083
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.5095	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0289	0.4048	1
Onchocerca volvulus		0.0141	0.1609	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0141	0.1609	0.3975
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1609	0.3975
Brugia malayi	Animal haem peroxidase family protein	0.0141	0.1609	0.3975
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0289	0.4048	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0044	0.0012	1
Brugia malayi	Animal haem peroxidase family protein	0.0141	0.1609	0.3975
Echinococcus multilocularis	serotonin receptor	0.0123	0.1312	0.8153

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 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)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1444664

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 1347121