TDR Targets

Basic information

Technical information

TDR Targets ID: 1308217
Name: N-cyclopropyl-2-[[5-methyl-2-(2-methylphenyl) -1,3-oxazol-4-yl]methylsulfonyl]acetamide
MW: 348.417 | Formula: C17H20N2O4S
H donors: 1 H acceptors: 4 LogP: 2.43 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CS(=O)(=O)Cc1nc(oc1C)c1ccccc1C)NC1CC1
InChi: 1S/C17H20N2O4S/c1-11-5-3-4-6-14(11)17-19-15(12(2)23-17)9-24(21,22)10-16(20)18-13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H,18,20)
InChiKey: XTYJLMHDJDVINN-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

N-cyclopropyl-2-[[5-methyl-2-(2-methylphenyl)oxazol-4-yl]methylsulfonyl]acetamide
N-cyclopropyl-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfonyl]acetamide
N-cyclopropyl-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]ethanamide

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
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0436	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0679	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0436	0.0436
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0679	0.0679
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0436	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.0436	1
Leishmania major	hypothetical protein, conserved	0.0038	0.0436	1
Loa Loa (eye worm)	hypothetical protein	0.0441	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0436	0.0436
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0436	0.0436
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0679	1
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0436	1
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0436	0.0827
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0436	0.6425
Echinococcus multilocularis	hormone sensitive lipase	0.0441	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0679	0.0679
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0436	0.0436
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0679	0.0679
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0436	0.0827
Brugia malayi	beta-lactamase family protein	0.0038	0.0436	0.6425
Onchocerca volvulus		0.0038	0.0436	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0436	0.0436
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0436	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0436	0.0436
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0436	0.0827
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0436	0.0827
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0436	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0436	0.0436
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0436	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0679	0.0679
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0436	0.0827
Brugia malayi	beta-lactamase	0.0038	0.0436	0.6425
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0441	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0436	0.0436
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0436	0.0436
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0679	0.0679
Brugia malayi	beta-lactamase family protein	0.0038	0.0436	0.6425
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0436	1
Trichomonas vaginalis	esterase, putative	0.0038	0.0436	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0436	0.0827
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.5275	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0436	0.0436
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0441	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0436	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0436	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0679	0.0679
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0436	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0436	1
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0436	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0436	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0436	0.0827
Onchocerca volvulus		0.0038	0.0436	0.5
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0436	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0436	0.0436
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0	0.5
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0441	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0679	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0436	0.0436
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0436	1
Toxoplasma gondii	ABC1 family protein	0.0038	0.0436	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Onchocerca volvulus		0.0038	0.0436	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0436	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0436	0.0827
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0436	0.0827

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.1475 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)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	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: CHEMBL1419468

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 1308217