Detailed information for compound 623332

Basic information

Technical information
  • TDR Targets ID: 623332
  • Name: 4-[(4-bromophenyl)methylsulfanyl]-[1]benzoxol o[2,3-e]pyrimidine
  • MW: 371.251 | Formula: C17H11BrN2OS
  • H donors: 0 H acceptors: 2 LogP: 5.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)CSc1ncnc2c1oc1c2cccc1
  • InChi: 1S/C17H11BrN2OS/c18-12-7-5-11(6-8-12)9-22-17-16-15(19-10-20-17)13-3-1-2-4-14(13)21-16/h1-8,10H,9H2
  • InChiKey: VJNYPQWGNIEVNS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(4-bromophenyl)methylsulfanyl]benzofurano[2,3-e]pyrimidine
  • 4-[(4-bromophenyl)methylthio]benzofurano[2,3-e]pyrimidine
  • 4-[(4-bromobenzyl)thio]benzofurano[2,3-e]pyrimidine
  • EU-0090901
  • ZINC02722815

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
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.1274 0.1159
Echinococcus multilocularis lamin dm0 0.0026 0.1274 0.1678
Schistosoma mansoni intermediate filament proteins 0.0026 0.1274 0.1389
Schistosoma mansoni kinase 0.0048 0.3276 0.4115
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0016 0.0283 0.0039
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.4597 0.4597
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.7595 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.7595 1
Leishmania major protein kinase, putative 0.0016 0.0283 0.0039
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.7595 1
Brugia malayi hypothetical protein 0.0036 0.2198 0.2094
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4597 0.5915
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0131 0.0131
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0016 0.0283 0.0039
Loa Loa (eye worm) TAR-binding protein 0.0062 0.4597 0.4597
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4597 0.5915
Echinococcus granulosus lamin dm0 0.0026 0.1274 0.1678
Onchocerca volvulus Huntingtin homolog 0.012 1 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0052 0.3641 0.3641
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.316 0.3957
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.7595 0.7244
Loa Loa (eye worm) hypothetical protein 0.0036 0.2174 0.2174
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0036 0.2198 0.2094
Echinococcus multilocularis tar DNA binding protein 0.0062 0.4597 0.6052
Onchocerca volvulus Protein cycle homolog 0.0036 0.2198 0.1058
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.7595 1
Loa Loa (eye worm) hypothetical protein 0.012 1 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.4597 0.6052
Leishmania major protein kinase, putative 0.0016 0.0283 0.0039
Brugia malayi TAR-binding protein 0.0062 0.4597 0.4525
Echinococcus granulosus aryl hydrocarbon receptor 0.0052 0.3641 0.4794
Loa Loa (eye worm) hypothetical protein 0.0026 0.1274 0.1274
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.7595 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0036 0.2174 0.207
Echinococcus multilocularis musashi 0.0026 0.1274 0.1678
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.4597 0.4525
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4597 0.5915
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.7595 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4597 0.5915
Onchocerca volvulus 0.0051 0.3617 0.2685
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.1274 0.1274
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.7595 1
Echinococcus granulosus lamin 0.0026 0.1274 0.1678
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0036 0.2198 0.2198
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0016 0.0279 0.0367
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0036 0.2198 0.2647
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0015 0.0255 0.5
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0016 0.0283 0.0039
Brugia malayi intermediate filament protein 0.0026 0.1274 0.1159
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0036 0.2198 0.2094
Giardia lamblia Kinase, PLK 0.0094 0.7595 0.5
Schistosoma mansoni lamin 0.0026 0.1274 0.1389
Onchocerca volvulus Huntingtin homolog 0.012 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.7595 1
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0016 0.0279 0.0367
Brugia malayi PAS domain containing protein 0.0015 0.0255 0.0126
Echinococcus multilocularis aryl hydrocarbon receptor 0.0052 0.3641 0.4794
Brugia malayi hypothetical protein 0.0036 0.2174 0.207
Echinococcus granulosus intermediate filament protein 0.0026 0.1274 0.1678
Loa Loa (eye worm) hypothetical protein 0.0026 0.1229 0.1229
Brugia malayi hypothetical protein 0.0051 0.3617 0.3533
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.7595 1
Schistosoma mansoni lamin 0.0026 0.1274 0.1389
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.7595 0.7595
Mycobacterium leprae Possible regulatory protein 0.0015 0.0255 0.5
Trypanosoma brucei polo-like protein kinase 0.0094 0.7595 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.1274 0.1274
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4597 0.5915
Loa Loa (eye worm) hypothetical protein 0.0015 0.0255 0.0255
Loa Loa (eye worm) RNA binding protein 0.0062 0.4597 0.4597
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.7595 0.7564
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0016 0.0283 0.0039
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.7595 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.3617 0.3617
Loa Loa (eye worm) hypothetical protein 0.0036 0.2174 0.2174
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.7595 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.2174 0.2174
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.316 0.3957
Schistosoma mansoni aryl hydrocarbon receptor 0.0016 0.0279 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.7595 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.7595 1
Brugia malayi RNA binding protein 0.0062 0.4597 0.4525
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.7595 1
Loa Loa (eye worm) hypothetical protein 0.012 1 1
Echinococcus multilocularis lamin 0.0026 0.1274 0.1678
Loa Loa (eye worm) hypothetical protein 0.0036 0.2174 0.2174

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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