Detailed information for compound 906965

Basic information

Technical information
  • TDR Targets ID: 906965
  • Name: 4-[(4-bromophenyl)methylidene]-2-(2-chloro-5- nitrophenyl)-1,3-oxazol-5-one
  • MW: 407.603 | Formula: C16H8BrClN2O4
  • H donors: 0 H acceptors: 3 LogP: 4.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C=C1N=C(OC1=O)c1cc(ccc1Cl)[N+](=O)[O-]
  • InChi: 1S/C16H8BrClN2O4/c17-10-3-1-9(2-4-10)7-14-16(21)24-15(19-14)12-8-11(20(22)23)5-6-13(12)18/h1-8H/b14-7-
  • InChiKey: DINWNLJUKNROJF-AUWJEWJLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4Z)-4-[(4-bromophenyl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5-one
  • 4-[(4-bromophenyl)methylene]-2-(2-chloro-5-nitro-phenyl)oxazol-5-one
  • (4Z)-4-[(4-bromophenyl)methylene]-2-(2-chloro-5-nitro-phenyl)oxazol-5-one
  • (4Z)-4-[(4-bromophenyl)methylene]-2-(2-chloro-5-nitrophenyl)-5-oxazolone
  • 4-[(4-bromophenyl)methylene]-2-(2-chloro-5-nitrophenyl)-5-oxazolone
  • (4Z)-4-(4-bromobenzylidene)-2-(2-chloro-5-nitro-phenyl)oxazol-5-one
  • 4-(4-bromobenzylidene)-2-(2-chloro-5-nitro-phenyl)oxazol-5-one
  • (4Z)-4-[(4-bromophenyl)methylidene]-2-(2-chloro-5-nitro-phenyl)-1,3-oxazol-5-one
  • 4-[(4-bromophenyl)methylidene]-2-(2-chloro-5-nitro-phenyl)-1,3-oxazol-5-one
  • BAS 00367713
  • ZINC00822619
  • A0306/0013995
  • 4-(4-Bromo-benzylidene)-2-(2-chloro-5-nitro-phenyl)-4H-oxazol-5-one

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
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.0295
Schistosoma mansoni zinc finger protein 0.0014 0.0003 0.0012
Schistosoma mansoni hypothetical protein 0.0129 0.2067 0.789
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0295 0.0292
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0381 0.1456
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0073 0.105 0.401
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0034
Brugia malayi nuclear receptor NHR-88 0.0031 0.0295 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0295 0.0292
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0295 0.1428
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0295 0.1127
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0295 0.0292
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0003 0.0012
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0295 0.1428
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0295 0.1127
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0295 0.1428
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0295 0.1127
Trichomonas vaginalis conserved hypothetical protein 0.0218 0.3681 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0014 0.0003 0.0016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0003 0.0012
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0034 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0295 0.0292
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0295 0.0292
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Trypanosoma cruzi monoglyceride lipase, putative 0.0218 0.3681 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0295 0.1127
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0295 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0295 0.0292
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0295 0.0295
Plasmodium falciparum esterase, putative 0.0218 0.3681 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.0295
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0295 0.0292
Mycobacterium ulcerans lysophospholipase 0.0218 0.3681 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 0.1553 0.7513
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.0295
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0295 0.0295
Mycobacterium ulcerans hypothetical protein 0.0218 0.3681 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0129 0.2067 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0034
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0014 0.0003 0.0012
Brugia malayi nuclear receptor RXR 0.0016 0.0034 0.0031
Brugia malayi hypothetical protein 0.0065 0.0914 0.0911
Loa Loa (eye worm) hypothetical protein 0.008 0.1193 0.1193
Plasmodium falciparum lysophospholipase, putative 0.0218 0.3681 0.5
Leishmania major monoglyceride lipase, putative 0.0218 0.3681 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0295 0.0295
Loa Loa (eye worm) nuclear hormone receptor 0.0014 0.0003 0.0003
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0295 0.1127
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0003 0.0016
Echinococcus granulosus jun protein 0.0083 0.1234 0.597
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0034 0.0167
Schistosoma mansoni hypothetical protein 0.0035 0.0381 0.1456
Trypanosoma brucei monoglyceride lipase, putative 0.0218 0.3681 0.5
Schistosoma mansoni nuclear receptor 0.0014 0.0003 0.0012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0034 0.0132
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0295 0.1428
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.3681 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0295 0.1127
Loa Loa (eye worm) hypothetical protein 0.01 0.1553 0.1553
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0295 0.0292
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0381 0.1846
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0295 0.1428
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0295 0.1127
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.0295
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.3681 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0295 0.0292
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0259 0.4405 0.4405
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0003 0.0012
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0218 0.3681 0.5
Onchocerca volvulus 0.0065 0.0914 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0003 0.0016
Brugia malayi ecdysteroid receptor 0.0031 0.0295 0.0292
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0014 0.0003 0.0012
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0295 0.1127
Plasmodium falciparum lysophospholipase, putative 0.0218 0.3681 0.5
Schistosoma mansoni coup transcription factor 0.0031 0.0295 0.1127
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 0.1553 0.5928
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.0295
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0295 0.1127
Brugia malayi amidase 0.01 0.1553 0.155
Plasmodium falciparum lysophospholipase, putative 0.0218 0.3681 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0295 0.1127
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0218 0.3681 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0218 0.3681 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Echinococcus granulosus nuclear receptor nhr 48 0.0014 0.0003 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.0295
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0003 0.0016
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0034
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0295 0.1428
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Brugia malayi nuclear hormone receptor 0.0031 0.0295 0.0292
Trypanosoma brucei monoglyceride lipase, putative 0.0218 0.3681 0.5
Schistosoma mansoni hypothetical protein 0.0067 0.0954 0.3644
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0381 0.1456
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0295 0.1428
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.3681 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0218 0.3681 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0295 0.1428
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0295 0.1127
Schistosoma mansoni thyroid hormone receptor 0.016 0.2619 1
Echinococcus multilocularis jun protein 0.0083 0.1234 0.471
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0295 0.1127
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.3681 0.5
Brugia malayi bZIP transcription factor family protein 0.0083 0.1234 0.1231
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0014 0.0003 0.0016
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0295 0.1127
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0034 0.0132
Loa Loa (eye worm) hypothetical protein 0.0569 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0295 0.3207
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0295 0.3207
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0295 0.0292
Echinococcus granulosus nuclear factor of activated T cells 5 0.0073 0.105 0.5082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0295 0.0295
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0295 0.1127
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.1234 0.471
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0129 0.2067 0.789
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0295 0.3207
Brugia malayi Nuclear hormone receptor-like 1 0.026 0.4437 0.4435
Trichomonas vaginalis conserved hypothetical protein 0.0218 0.3681 0.5
Schistosoma mansoni jun-related protein 0.0067 0.0954 0.3644
Echinococcus multilocularis nuclear receptor nhr 48 0.0014 0.0003 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0295 0.0292
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.026 0.4437 0.4437
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0295 0.1428
Plasmodium vivax PST-A protein 0.0218 0.3681 0.5
Brugia malayi hypothetical protein 0.0016 0.0034 0.0031
Loa Loa (eye worm) DR-78 0.0014 0.0003 0.0003
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0295 0.1127
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0295 0.0292
Brugia malayi steroid hormone receptor 0.0031 0.0295 0.0292
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0003 0.0012
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0295 0.0292
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0014 0.0003 0.0012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0295 0.1127
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.0295
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0295 0.1127
Brugia malayi Nuclear hormone receptor-like 1 0.0275 0.4697 0.4696
Onchocerca volvulus 0.0031 0.0295 0.3207
Brugia malayi hypothetical protein 0.0016 0.0034 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0295 0.0295
Schistosoma mansoni fatty-acid amide hydrolase 0.01 0.1553 0.5928
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 0.1553 0.5928
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0003
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0295 0.1127
Schistosoma mansoni nuclear receptor 0.0014 0.0003 0.0012
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.3681 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0295 0.0295
Echinococcus multilocularis thyroid hormone receptor alpha 0.016 0.2619 1
Brugia malayi hypothetical protein 0.0035 0.0381 0.0378
Mycobacterium tuberculosis Possible lysophospholipase 0.0218 0.3681 0.5
Schistosoma mansoni thyroid hormone receptor 0.016 0.2619 1
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0003 0.0012
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0014 0.0003 0.0012
Brugia malayi Nuclear hormone receptor-like 1 0.026 0.4437 0.4435
Schistosoma mansoni nuclear receptor nhr-48 0.0014 0.0003 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0295 0.0292
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.1234 0.597
Schistosoma mansoni amidase 0.01 0.1553 0.5928
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 0.1553 0.7513
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.0003 0.0003

Activities

No activities found for this compound.

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.

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