TDR Targets

Basic information

Technical information

TDR Targets ID: 1611762
Name: 1-[3-[(4-bromophenyl)amino]-5-methyl-1,2-oxaz olidin-2-yl]ethanone
MW: 299.164 | Formula: C12H15BrN2O2
H donors: 1 H acceptors: 1 LogP: 3.42 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC1CC(N(O1)C(=O)C)Nc1ccc(cc1)Br
InChi: 1S/C12H15BrN2O2/c1-8-7-12(15(17-8)9(2)16)14-11-5-3-10(13)4-6-11/h3-6,8,12,14H,7H2,1-2H3
InChiKey: VMOBFJZZRBPCOR-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

1-[3-[(4-bromophenyl)amino]-5-methyl-isoxazolidin-2-yl]ethanone
1-[3-[(4-bromophenyl)amino]-5-methyl-2-isoxazolidinyl]ethanone
NSC658229
NCI60_020378

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	photoreceptor-specific nuclear receptor related	0.0011	0.0012	0.013
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.02	0.5208
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0012	0.013
Onchocerca volvulus		0.0012	0.0021	0.0139
Echinococcus multilocularis	leucine rich repeat and coiled coil	0.0012	0.0021	0.0009
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.02	0.5208
Plasmodium vivax	ras-related protein Rab-5A, putative	0.0065	0.0366	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0366	0.0356
Onchocerca volvulus	Protein phosphatase 1 regulatory subunit 7 homolog	0.0012	0.0021	0.0139
Leishmania major	hypothetical protein, conserved	0.0065	0.0366	1
Trichomonas vaginalis	TKL family protein kinase	0.0014	0.003	0.0273
Echinococcus multilocularis	GTP binding protein Parf	0.0065	0.0366	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0037	0.0024
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0015	0.0037	0.0399
Onchocerca volvulus		0.0104	0.062	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0012	0.013
Entamoeba histolytica	hypothetical protein	0.0065	0.0366	1
Onchocerca volvulus	Peroxidasin homolog	0.0015	0.0035	0.0366
Onchocerca volvulus	Mitochondrial Rho GTPase homolog	0.0065	0.0366	0.5817
Trypanosoma cruzi	protein phosphatase 1, regulatory subunit, putative	0.0015	0.0035	0.04
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.02	0.5208
Echinococcus multilocularis	leucine rich repeat containing protein 23	0.0015	0.0035	0.0022
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0015	0.0035	0.04
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0179	0.1116	0.1112
Echinococcus granulosus	neutral alpha glucosidase AB	0.004	0.02	0.0188
Onchocerca volvulus		0.0012	0.0021	0.0139
Trypanosoma brucei	Rab-like 5, small G protein	0.0065	0.0366	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0015	0.0037	0.0891
Brugia malayi	Protein kinase domain containing protein	0.0426	0.2733	0.2743
Trichomonas vaginalis	maltase-glucoamylase, putative	0.004	0.02	0.5208
Brugia malayi	Protein kinase domain containing protein	0.1523	0.9932	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0011	0.0014	0.0001
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0015	0.0037	0.0458
Entamoeba histolytica	hypothetical protein	0.0065	0.0366	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0012	0.013
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0012	0.013
Loa Loa (eye worm)	leucine Rich Repeat family protein	0.0012	0.0021	0.0009
Schistosoma mansoni	alpha glucosidase	0.004	0.02	0.2105
Schistosoma mansoni	calpain 4 6 7 invertebrate	0.0012	0.0021	0.0218
Loa Loa (eye worm)	leucine Rich Repeat family protein	0.0012	0.0021	0.0009
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.02	0.5208
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0012	0.013
Brugia malayi	Leucine Rich Repeat family protein	0.0012	0.0021	0.0009
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.02	0.5426
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0012	0.013
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0095	0.0565	0.0557
Echinococcus multilocularis	rab protein 3	0.0065	0.0366	0.0356
Schistosoma mansoni	hypothetical protein	0.0012	0.0021	0.0218
Echinococcus multilocularis	cell polarity protein leucine rich repeat	0.0015	0.0035	0.0022
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0012	0.013
Trichomonas vaginalis	leucine-rich repeat-containing protein, putative	0.0015	0.0035	0.04
Brugia malayi	Leucine Rich Repeat family protein	0.0012	0.0021	0.0009
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0015	0.0037	0.0024
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0015	0.0037	0.0458
Trichomonas vaginalis	protein phosphatases pp1 regulatory subunit, putative	0.0015	0.0035	0.04
Leishmania major	hypothetical protein, conserved	0.0015	0.0035	0.04
Echinococcus granulosus	nischarin	0.0012	0.0021	0.0008
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0179	0.1116	0.1112
Entamoeba histolytica	leucine rich repeat and phosphatase domain containing protein	0.0012	0.0021	0.0454
Schistosoma mansoni	alpha-glucosidase	0.0154	0.0952	1
Brugia malayi	Leucine Rich Repeat family protein	0.0012	0.0021	0.0009
Brugia malayi	hypothetical protein	0.0065	0.0366	0.0356
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.02	0.5426
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.02	0.5208
Schistosoma mansoni	alpha-glucosidase	0.0154	0.0952	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0021	0.0218
Onchocerca volvulus		0.0065	0.0366	0.5817
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.02	0.019
Trichomonas vaginalis	GTP binding protein rare7l, putative	0.0065	0.0366	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0179	0.1116	0.1112
Leishmania major	glycosyl hydrolase-like protein	0.0015	0.0037	0.0458
Echinococcus multilocularis	leucine rich repeat containing protein 9	0.0012	0.0021	0.0009
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.0366	1
Trypanosoma cruzi	Rab-like 5, small G protein	0.0065	0.0366	1
Trichomonas vaginalis	leucine-rich repeat-containing protein, putative	0.0015	0.0035	0.04
Toxoplasma gondii	leucine-rich repeat protein LRR1	0.0015	0.0035	0.0768
Entamoeba histolytica	leucine-rich repeat containing protein	0.0012	0.0021	0.0454
Trichomonas vaginalis	sucrase-isomaltase, putative	0.004	0.02	0.5208
Trichomonas vaginalis	alpha-glucosidase, putative	0.0015	0.0037	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0366	0.0356
Plasmodium vivax	protein phosphatases PP1 regulatory subunit sds22, putative	0.0015	0.0035	0.04
Schistosoma mansoni	protein phosphatases pp1 regulatory subunit	0.0012	0.0021	0.0218
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0015	0.0037	0.0458
Trichomonas vaginalis	alpha-glucosidase, putative	0.0015	0.0037	0.0458
Brugia malayi	MH2 domain containing protein	0.012	0.0728	0.0722
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.02	0.5208
Echinococcus multilocularis	neutral alpha glucosidase AB	0.004	0.02	0.019
Onchocerca volvulus		0.0015	0.0035	0.0366
Trichomonas vaginalis	alpha-glucosidase, putative	0.0015	0.0037	0.0458
Schistosoma mansoni	dynein light chain	0.0012	0.0021	0.0218
Loa Loa (eye worm)	camk/mapkapk/mnk protein kinase	0.0426	0.2733	0.2743
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.02	0.019
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.0728	0.0722
Brugia malayi	Ras-related protein ypt4	0.0065	0.0366	0.0356
Trichomonas vaginalis	alpha-glucosidase, putative	0.0015	0.0037	0.0458
Trichomonas vaginalis	hypothetical protein	0.0065	0.0366	1
Echinococcus granulosus	GTP binding protein Parf	0.0065	0.0366	0.0354
Echinococcus multilocularis	leucine rich repeat containing protein 57	0.0015	0.0035	0.0022
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0015	0.0037	0.0458
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0015	0.0037	0.0458
Echinococcus multilocularis	nischarin	0.0012	0.0021	0.0009
Trichomonas vaginalis	alpha-glucosidase, putative	0.0015	0.0037	0.0458
Onchocerca volvulus	Protein phosphatase 1 regulatory subunit 7 homolog	0.0012	0.0021	0.0139
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0012	0.013
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.02	0.5208
Brugia malayi	RAB, member of RAS oncogene family-like 5	0.0065	0.0366	0.0356
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0179	0.1116	0.1112
Trypanosoma brucei	glucosidase, putative	0.004	0.02	0.5208
Plasmodium falciparum	ras-related protein Rab-5A	0.0065	0.0366	1
Schistosoma mansoni	coup transcription factor	0.0011	0.0012	0.013
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.0728	0.0722
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.02	0.5208
Brugia malayi	Leucine Rich Repeat family protein	0.0015	0.0035	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0366	0.0356
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0012	0.013
Schistosoma mansoni	protein phosphatases pp1 regulatory subunit	0.0012	0.0021	0.0218
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0015	0.0037	0.0458
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.004	0.02	1
Onchocerca volvulus		0.0015	0.0035	0.0366
Onchocerca volvulus		0.0015	0.0035	0.0366
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.0547	0.5746
Echinococcus granulosus	rab protein 3	0.0065	0.0366	0.0354
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.02	0.5208
Echinococcus multilocularis	ras-related protein rab-5	0.0065	0.0366	0.0356
Entamoeba histolytica	hypothetical protein	0.0014	0.003	0.0714
Echinococcus granulosus	leucine rich repeat containing protein 23	0.0015	0.0035	0.0022
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.0366	1
Echinococcus multilocularis	protein phosphatase 1 regulatory subunit 7	0.0012	0.0021	0.0009
Leishmania major	alpha glucosidase II subunit, putative	0.004	0.02	0.5208
Loa Loa (eye worm)	TKL/LRRK protein kinase	0.1523	0.9932	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0179	0.1116	0.1105
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	0.0095	0.0565	0.0553
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0012	0.013
Trichomonas vaginalis	toll, putative	0.0015	0.0035	0.04
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0366	1
Brugia malayi	Leucine Rich Repeat family protein	0.0015	0.0035	0.0022
Schistosoma mansoni	hypothetical protein	0.0065	0.0366	0.3841
Echinococcus multilocularis	leucine rich repeat serine:threonine protein	0.1523	0.9932	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.0366	1
Giardia lamblia	Leucine-rich repeat protein	0.0015	0.0035	1
Leishmania major	hypothetical protein, conserved	0.0065	0.0366	1
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0012	0.013

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-7.02	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.599	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.382	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.307	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.71	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.239	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.681	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	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: CHEMBL1981773

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1611762