Detailed information for compound 279539

Basic information

Technical information
  • TDR Targets ID: 279539
  • Name: [4-(tert-butylsulfamoyl)phenyl]boronic acid
  • MW: 257.114 | Formula: C10H16BNO4S
  • H donors: 3 H acceptors: 4 LogP: 0.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OB(c1ccc(cc1)S(=O)(=O)NC(C)(C)C)O
  • InChi: 1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-8(5-7-9)11(13)14/h4-7,12-14H,1-3H3
  • InChiKey: BBTSLOMTYZIGGC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 cruzi cytochrome P450 reductase, putative 0.0106 1 0.5
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0106 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0058 0.0885 0.0885
Loa Loa (eye worm) FAD binding domain-containing protein 0.0066 0.2407 0.167
Onchocerca volvulus Bile acid receptor homolog 0.0058 0.0885 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0106 1 1
Trypanosoma cruzi p450 reductase, putative 0.0106 1 0.5
Schistosoma mansoni NADPH flavin oxidoreductase 0.0054 0.0151 0.0151
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0058 0.0885 0.5
Giardia lamblia Hypothetical protein 0.0094 0.7743 0.5
Plasmodium falciparum nitric oxide synthase, putative 0.0106 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0058 0.0885 0.0885
Leishmania major p450 reductase, putative 0.0106 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0058 0.0885 0.0885
Schistosoma mansoni coup transcription factor 0.0058 0.0885 0.0885
Schistosoma mansoni thyroid hormone receptor 0.0058 0.0885 0.0885
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0106 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0058 0.0885 0.0885
Schistosoma mansoni RAR-like nuclear receptor 0.0058 0.0885 0.0885
Loa Loa (eye worm) hypothetical protein 0.0106 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0053 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0058 0.0885 0.0885
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0106 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0053 0 0.5
Onchocerca volvulus 0.0058 0.0885 0.5
Echinococcus multilocularis methionine synthase reductase 0.0066 0.2407 0.167
Chlamydia trachomatis sulfite reductase 0.0066 0.2407 0.5
Schistosoma mansoni cytochrome P450 reductase 0.0106 1 1
Giardia lamblia Nitric oxide synthase, inducible 0.0094 0.7743 0.5
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0106 1 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0106 1 1
Brugia malayi FAD binding domain containing protein 0.0106 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0106 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0058 0.0885 0.5
Schistosoma mansoni nuclear hormone receptor 0.0058 0.0885 0.0885
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0058 0.0885 0.0885
Brugia malayi FAD binding domain containing protein 0.0066 0.2407 0.167
Trichomonas vaginalis sulfite reductase, putative 0.0106 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0106 1 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0066 0.2407 0.2407
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0058 0.0885 0.0885
Schistosoma mansoni thyroid hormone receptor 0.0058 0.0885 0.0885
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0106 1 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0106 1 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0106 1 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0058 0.0885 0.0885
Echinococcus granulosus methionine synthase reductase 0.0066 0.2407 0.167
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0106 1 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0106 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0106 1 1

Activities

Activity type Activity value Assay description Source Reference
Residual binding (binding) = 100 % Residual binding of radiolabelled PGE-2 on the Prostanoid EP3 receptor at a concentration of 1 microM ChEMBL. 11266183
Residual binding (binding) = 100 % Residual binding of radiolabelled PGE-2 on the Prostanoid EP3 receptor at a concentration of 1 microM ChEMBL. 11266183

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

1 literature reference was collected for this gene.

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