TDR Targets

Basic information

Technical information

TDR Targets ID: 1589813
Name: (4-bromophenyl)-[3-[(4-bromophenyl)amino]-5-m ethyl-1,2-oxazolidin-2-yl]methanone
MW: 440.129 | Formula: C17H16Br2N2O2
H donors: 1 H acceptors: 1 LogP: 5.77 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)NC1CC(ON1C(=O)c1ccc(cc1)Br)C
InChi: 1S/C17H16Br2N2O2/c1-11-10-16(20-15-8-6-14(19)7-9-15)21(23-11)17(22)12-2-4-13(18)5-3-12/h2-9,11,16,20H,10H2,1H3
InChiKey: MXMGZFYTHNNJMN-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

(4-bromophenyl)-[3-[(4-bromophenyl)amino]-5-methyl-isoxazolidin-2-yl]methanone
(4-bromophenyl)-[3-[(4-bromophenyl)amino]-5-methyl-2-isoxazolidinyl]methanone
NCI60_020377
2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine
AIDS-141831
AIDS141831
N-(2-(4-Bromobenzoyl)-5-methyl-3-isoxazolidinyl)-N-(4-bromophenyl)amine
NSC658228

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
Plasmodium falciparum	aldo-keto reductase, putative	0.0086	0.2325	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0097	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.2325	0.2482
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0097	0.0104
Plasmodium falciparum	thioredoxin reductase	0.0047	0.1032	0.4437
Mycobacterium ulcerans	oxidoreductase	0.0298	0.9369	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0108	0.3054	0.326
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0097	0.0104
Schistosoma mansoni	potassium channel beta	0.0086	0.2325	0.2482
Onchocerca volvulus		0.0298	0.9369	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0298	0.9369	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0097	0.0104
Plasmodium falciparum	aldehyde reductase, putative	0.0086	0.2325	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Brugia malayi	glutathione reductase	0.0047	0.1032	0.1032
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0108	0.3054	0.1035
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0097	0.0104
Onchocerca volvulus		0.0298	0.9369	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0086	0.2325	0.2482
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0298	0.9369	0.9369
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0298	0.9369	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0097	0.0097
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0108	0.3054	0.326
Onchocerca volvulus		0.0298	0.9369	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0108	0.3054	0.326
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Trypanosoma brucei	prostaglandin f synthase	0.0298	0.9369	1
Schistosoma mansoni	pol-related	0.0298	0.9369	1
Loa Loa (eye worm)	hypothetical protein	0.0317	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Echinococcus multilocularis	aldehyde reductase	0.0212	0.6497	0.6497
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.012	0.3456	0.3689
Toxoplasma gondii	aldose reductase, putative	0.0298	0.9369	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0086	0.2325	0.2403
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0097	0.0097
Echinococcus granulosus	aldo keto reductase	0.0298	0.9369	0.9369
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0097	0.0104
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0097	0.0104
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Giardia lamblia	Aldose reductase	0.0298	0.9369	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Toxoplasma gondii	aldo-keto reductase	0.0086	0.2325	0.2482
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0298	0.9369	0.9369
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0086	0.2325	0.2482
Mycobacterium ulcerans	hypothetical protein	0.0086	0.2325	0.2482
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Toxoplasma gondii	thioredoxin reductase	0.0047	0.1032	0.1101
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Giardia lamblia	Aldose reductase	0.0298	0.9369	1
Echinococcus multilocularis	aldo keto reductase	0.0298	0.9369	0.9369
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0298	0.9369	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0097	0.0104
Loa Loa (eye worm)	oxidoreductase	0.0298	0.9369	0.9363
Schistosoma mansoni	aldo-keto reductase	0.0298	0.9369	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Loa Loa (eye worm)	oxidoreductase	0.0298	0.9369	0.9363
Trichomonas vaginalis	aldo/keto reductase, putative	0.0298	0.9369	1
Loa Loa (eye worm)	hypothetical protein	0.0317	1	1
Echinococcus multilocularis	aldo keto reductase	0.0298	0.9369	0.9369
Mycobacterium leprae	Conserved hypothetical protein	0.0212	0.6497	0.5922
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0097	0.0104
Trypanosoma brucei	unspecified product	0.0019	0.0097	0.0104
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0298	0.9369	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0	0.5
Trypanosoma brucei	trypanothione reductase	0.0047	0.1032	0.1101
Mycobacterium tuberculosis	Probable dehydrogenase	0.0108	0.3054	0.326
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Trichomonas vaginalis	aldo/keto reductase, putative	0.0298	0.9369	1
Plasmodium vivax	glutathione reductase, putative	0.0047	0.1032	0.4437
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0097	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0298	0.9369	0.9363
Mycobacterium tuberculosis	Probable oxidoreductase	0.012	0.3456	0.3689
Trypanosoma cruzi	aldo/keto reductase, putative	0.0298	0.9369	1
Brugia malayi	NADH-dependent xylose reductase	0.0086	0.2325	0.2325
Trichomonas vaginalis	aldo-keto reductase, putative	0.0086	0.2325	0.2482
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.1032	0.0944
Echinococcus granulosus	aldo keto reductase	0.0298	0.9369	0.9369
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0097	0.0104
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0298	0.9369	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Loa Loa (eye worm)	oxidoreductase	0.0298	0.9369	0.9363
Trichomonas vaginalis	aldo-keto reductase, putative	0.0086	0.2325	0.2482
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.1032	0.1101
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0086	0.2325	0.2482
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.1032	0.4437
Mycobacterium tuberculosis	Conserved protein	0.0086	0.2325	0.2482
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0086	0.2325	1
Echinococcus multilocularis	muscleblind protein	0.0317	1	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0086	0.2325	0.2403
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0298	0.9369	0.9369
Entamoeba histolytica	aldose reductase, putative	0.0298	0.9369	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Echinococcus granulosus	aldehyde reductase	0.0212	0.6497	0.6497
Mycobacterium tuberculosis	Probable reductase	0.0108	0.3054	0.326
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0	0.5
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0086	0.2325	0.2325
Entamoeba histolytica	aldose reductase, putative	0.0298	0.9369	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0097	0.0097
Echinococcus granulosus	voltage gated potassium channel subunit	0.0086	0.2325	0.2325
Echinococcus granulosus	dna polymerase eta	0.0019	0.0097	0.0097
Plasmodium vivax	aldehyde reductase, putative	0.0086	0.2325	1
Leishmania major	DNA polymerase eta, putative	0.0019	0.0097	0.0104
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.1032	0.1101
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.1032	0.1032
Leishmania major	trypanothione reductase	0.0047	0.1032	0.1101
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0298	0.9369	0.9369
Loa Loa (eye worm)	oxidoreductase	0.0298	0.9369	0.9363
Echinococcus granulosus	muscleblind protein	0.0317	1	1
Entamoeba histolytica	aldose reductase, putative	0.0298	0.9369	1
Schistosoma mansoni	aldo-keto reductase	0.0298	0.9369	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0298	0.9369	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0086	0.2325	0.2482
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Trichomonas vaginalis	aldo-keto reductase, putative	0.0086	0.2325	0.2482
Onchocerca volvulus		0.0298	0.9369	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0086	0.2325	0.2482
Echinococcus multilocularis	aldo keto reductase	0.0298	0.9369	0.9369
Echinococcus multilocularis	aldo keto reductase	0.0298	0.9369	0.9369
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Trypanosoma cruzi	aldo-keto reductase	0.0298	0.9369	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.1032	0.1032
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0097	0.0104
Brugia malayi	Thioredoxin reductase	0.0047	0.1032	0.1032
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0086	0.2325	0.2325
Treponema pallidum	NADH oxidase	0.0016	0	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0097	0.0097
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0097	0.0104
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.012	0.3456	0.3689
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0086	0.2325	0.2325
Leishmania major	aldo-keto reductase-like protein	0.0298	0.9369	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0097	0.0097
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0298	0.9369	0.9369
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0097	0.0104
Onchocerca volvulus		0.0298	0.9369	1
Loa Loa (eye worm)	glutathione reductase	0.0047	0.1032	0.0944
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0097	0.0097
Echinococcus multilocularis	muscleblind protein 1	0.0317	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0097	0.0104
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0298	0.9369	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0298	0.9369	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0086	0.2325	0.225
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0097	0.0104
Trypanosoma brucei	aldo-keto reductase, putative	0.0298	0.9369	1
Echinococcus granulosus	hypothetical protein	0.0298	0.9369	0.9369
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0298	0.9369	1
Onchocerca volvulus		0.0298	0.9369	1
Loa Loa (eye worm)	oxidoreductase	0.0298	0.9369	0.9363
Plasmodium falciparum	glutathione reductase	0.0047	0.1032	0.4437
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0298	0.9369	0.9369
Leishmania major	prostaglandin f synthase, putative	0.0298	0.9369	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0108	0.3054	0.326
Trypanosoma brucei	aldo/keto reductase, putative	0.0086	0.2325	0.2482
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.012	0.3456	0.1605
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0097	0.0104
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0097	0.0104
Echinococcus granulosus	aldo keto reductase	0.0298	0.9369	0.9369

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-6.169	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)	-5.631	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)	-5.582	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)	-5.561	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)	-5.453	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)	-5.425	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)	-5.165	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
GI50 (functional)	-5.049	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)	-5	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)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 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: CHEMBL1980201

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 1589813