Detailed information for compound 917632

Basic information

Technical information
  • TDR Targets ID: 917632
  • Name: 3-(3,5-dibromo-4-methoxyphenyl)-2-oxopropanoi c acid
  • MW: 351.976 | Formula: C10H8Br2O4
  • H donors: 1 H acceptors: 3 LogP: 2.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(Br)cc(cc1Br)CC(=O)C(=O)O
  • InChi: 1S/C10H8Br2O4/c1-16-9-6(11)2-5(3-7(9)12)4-8(13)10(14)15/h2-3H,4H2,1H3,(H,14,15)
  • InChiKey: BSZPGRZAJGTIKN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,5-dibromo-4-methoxy-phenyl)-2-oxo-propanoic acid
  • 3-(3,5-dibromo-4-methoxy-phenyl)-2-keto-propionic acid

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
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0798 0.0687
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0381 1 0.5
Brugia malayi Dihydrofolate reductase 0.0381 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.0381 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0146 0.3487 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0917 0.09
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.0955 0.0955
Onchocerca volvulus 0.0048 0.0774 0.0516
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0704 0.0409
Loa Loa (eye worm) hypothetical protein 0.0054 0.0955 0.0937
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.1364 0.1364
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0381 1 0.5
Schistosoma mansoni hypothetical protein 0.0196 0.4874 0.4874
Loa Loa (eye worm) heterochromatin protein 1 0.008 0.1683 0.1666
Loa Loa (eye worm) hypothetical protein 0.0082 0.1716 0.17
Brugia malayi Heterochromatin protein 1 0.008 0.1683 0.1468
Echinococcus granulosus geminin 0.0196 0.4874 0.4874
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.0955 0.0955
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.611 0.6103
Schistosoma mansoni zinc finger protein 0.0023 0.0081 0.0081
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.0798 0.0553
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0146 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0818 0.08
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0704 0.0545
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0146 0.3487 0.5
Trichomonas vaginalis chromobox protein, putative 0.008 0.1683 0.2008
Chlamydia trachomatis dihydrofolate reductase 0.0381 1 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0955 0.0955
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0146 0.3487 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0917 0.0917
Echinococcus granulosus chromobox protein 1 0.008 0.1683 0.1683
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0409 0.0409
Echinococcus multilocularis dihydrofolate reductase 0.0381 1 1
Brugia malayi chromobox protein homolog 3 0.0045 0.0704 0.0464
Echinococcus multilocularis chromobox protein 1 0.008 0.1683 0.1683
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0146 0.3487 1
Echinococcus multilocularis zinc finger protein 0.0023 0.0081 0.0081
Trichomonas vaginalis chromobox protein, putative 0.008 0.1683 0.2008
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0374 0.0374
Brugia malayi Pre-SET motif family protein 0.0034 0.0409 0.0162
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.1364 0.1364
Schistosoma mansoni hypothetical protein 0.0024 0.0114 0.0114
Echinococcus granulosus dihydrofolate reductase 0.0381 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0176 0.0176
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0176 0.0176
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0146 0.3487 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0381 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0757 0.0739
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0176 0.0176
Echinococcus multilocularis geminin 0.0196 0.4874 0.4874
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0917 0.0917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0604 0.0604
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0409 0.0409
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0917 0.0683
Trichomonas vaginalis set domain proteins, putative 0.0274 0.703 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0048 0.0774 0.0774
Brugia malayi Bromodomain containing protein 0.0044 0.0679 0.0439
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0917 0.0917
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0604 0.0604
Loa Loa (eye worm) hypothetical protein 0.0035 0.0434 0.0415
Onchocerca volvulus 0.0274 0.703 1
Schistosoma mansoni bromodomain containing protein 0.0073 0.1478 0.1478
Schistosoma mansoni chromobox protein 0.008 0.1683 0.1683
Loa Loa (eye worm) hypothetical protein 0.0045 0.0704 0.0685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0917 0.0917
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0798 0.0687
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0917 0.0917
Brugia malayi Pre-SET motif family protein 0.024 0.611 0.601
Brugia malayi Bromodomain containing protein 0.0087 0.1853 0.1643
Echinococcus granulosus zinc finger protein 0.0023 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0044 0.0682 0.0663
Echinococcus granulosus chromobox protein 1 0.008 0.1683 0.1683
Schistosoma mansoni dihydrofolate reductase 0.0381 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0917 0.0917
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0955 0.0955
Schistosoma mansoni hypothetical protein 0.0196 0.4874 0.4874
Echinococcus multilocularis chromobox protein 1 0.008 0.1683 0.1683
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0114 0.0095
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0704 0.0545
Schistosoma mansoni chromobox protein 0.008 0.1683 0.1683
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0917 0.0917

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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