TDR Targets

Basic information

Technical information

TDR Targets ID: 1318501
Name: N-cyclopropyl-2-[[5-methyl-2-(2-methylphenyl) -1,3-oxazol-4-yl]methylsulfinyl]acetamide
MW: 332.417 | Formula: C17H20N2O3S
H donors: 2 H acceptors: 3 LogP: 3.22 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: [O-][S+](Cc1nc(oc1C)c1ccccc1C)CC(=O)NC1CC1
InChi: 1S/C17H20N2O3S/c1-11-5-3-4-6-14(11)17-19-15(12(2)22-17)9-23(21)10-16(20)18-13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H,18,20)
InChiKey: QKKJAHSIJZZJFQ-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]methylsulfinyl]acetamide
N-cyclopropyl-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfinyl]acetamide
N-cyclopropyl-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]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
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.089	0.089
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0558	0.3432
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0558	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0558	0.5
Echinococcus multilocularis	bloom syndrome protein	0.0027	0.0742	0.0886
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0011	0.019	0.0209
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0558	0.0558
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.089	0.089
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0304	0.1762
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0558	0.0709
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0558	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.3259	0.4931
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0558	0.059
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.148	0.0782
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Echinococcus multilocularis	dna polymerase eta	0.005	0.1554	0.2192
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.148	0.148
Entamoeba histolytica	recQ family helicase, putative	0.0014	0.0304	0.5456
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0007	0.0037	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0048	0.148	0.1964
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.3259	0.4385
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.148	0.148
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0558	0.0312
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0558	0.059
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.1712	0.228
Plasmodium vivax	SET domain protein, putative	0.0031	0.089	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.019	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0031	0.089	0.1161
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0558	0.0312
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0558	0.3432
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.148	0.2073
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0011	0.019	0.2596
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Loa Loa (eye worm)	hypothetical protein	0.005	0.1554	0.2065
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Loa Loa (eye worm)	hypothetical protein	0.0134	0.4531	0.6116
Leishmania major	DNA polymerase eta, putative	0.005	0.1554	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0558	0.0709
Onchocerca volvulus		0.0048	0.148	0.0782
Trichomonas vaginalis	set domain proteins, putative	0.0245	0.8432	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3259	0.3259
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Trypanosoma brucei	DNA polymerase eta, putative	0.005	0.1554	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.148	0.2073
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0323	0.1887
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0558	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.019	0.0209
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0323	0.1887
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0035	0.1034	1
Schistosoma mansoni	DNA polymerase IV / kappa	0.0007	0.0037	0.0037
Trypanosoma brucei	unspecified product	0.0015	0.0323	0.1887
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0304	0.1762
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.1712	0.2446
Brugia malayi	mbt repeat family protein	0.0048	0.148	0.1964
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0187	0.6413	1
Brugia malayi	Pre-SET motif family protein	0.0031	0.089	0.1161
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.019	0.184
Onchocerca volvulus		0.0245	0.8432	1
Echinococcus granulosus	bloom syndrome protein	0.0027	0.0742	0.0886
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0558	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.089	0.089
Trypanosoma brucei	unspecified product	0.0015	0.0323	0.1887
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.3259	0.4931
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.148	0.148
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.089	0.1125
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0558	0.3432
Trichomonas vaginalis	DNA helicase recq1, putative	0.0027	0.0742	0.0538
Schistosoma mansoni	DNA helicase recq1	0.0011	0.019	0.019
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.089	0.1125
Trichomonas vaginalis	DNA helicase recq, putative	0.0027	0.0742	0.0538
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0007	0.0037	0.0355
Loa Loa (eye worm)	MBCTL1	0.0054	0.1712	0.228
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3259	0.3259
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.019	0.0209
Brugia malayi	Pre-SET motif family protein	0.0215	0.7385	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.1712	0.2446
Echinococcus granulosus	dna polymerase eta	0.005	0.1554	0.2192
Giardia lamblia	Sgs1 DNA helicase, putative	0.0011	0.019	0.2945
Schistosoma mansoni	DNA helicase recq5	0.0011	0.019	0.019
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.089	0.089
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.148	0.1964
Trypanosoma cruzi	DNA polymerase eta, putative	0.0035	0.1034	0.6568
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.3259	0.4931
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0323	0.1887
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0558	0.3432
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.1712	0.1712
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.1712	0.2446
Schistosoma mansoni	blooms syndrome DNA helicase	0.0021	0.0544	0.0544
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.3259	0.4385
Trypanosoma brucei	unspecified product	0.0021	0.0558	0.3432
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3259	0.3259
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.019	0.184
Schistosoma mansoni	DNA polymerase eta	0.005	0.1554	0.1554
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0018	0.0438	0.4698
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0558	0.059
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.3259	0.4931
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.089	0.861
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0018	0.043	0.416
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.1712	0.2446
Brugia malayi	mbt repeat family protein	0.0048	0.148	0.1964
Loa Loa (eye worm)	RecQ helicase	0.0027	0.0742	0.0959
Brugia malayi	Bloom's syndrome protein homolog	0.0027	0.0742	0.0959
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0023	0.0628	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0558	0.059
Trypanosoma cruzi	DNA polymerase eta, putative	0.005	0.1554	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0187	0.6413	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.085	0.106
Leishmania major	DNA polymerase eta, putative	0.0035	0.1034	0.6568
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0304	0.1762
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0558	0.3432
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0558	0.0558
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.089	0.1125
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.148	0.2073
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1712	0.228
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.7385	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.148	0.2073
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0558	1
Brugia malayi	ImpB/MucB/SamB family protein	0.005	0.1554	0.2065

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	25.929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 39.8107 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

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: CHEMBL1452479

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1318501