Detailed information for compound 1589813

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  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Obtained from network model

Ranking Plot

Putative Targets List

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

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

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.