Detailed information for compound 1799643

Basic information

Technical information
  • TDR Targets ID: 1799643
  • Name: methyl (E)-2-[2-(1,3-benzoxazol-2-ylsulfanylm ethyl)phenyl]-3-methoxyprop-2-enoate
  • MW: 355.408 | Formula: C19H17NO4S
  • H donors: 0 H acceptors: 2 LogP: 4.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C=C(\c1ccccc1CSc1nc2c(o1)cccc2)/C(=O)OC
  • InChi: 1S/C19H17NO4S/c1-22-11-15(18(21)23-2)14-8-4-3-7-13(14)12-25-19-20-16-9-5-6-10-17(16)24-19/h3-11H,12H2,1-2H3/b15-11+
  • InChiKey: ZAWFKVSBTTWOGJ-RVDMUPIBSA-N  

Network

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Synonyms

  • methyl (E)-2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-3-methoxy-prop-2-enoate
  • (E)-2-[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-3-methoxyprop-2-enoic acid methyl ester
  • (E)-2-[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-3-methoxy-acrylic acid methyl ester

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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.2804 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.2523 0.8958
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.2804 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.2523 0.5
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.2804 0.2726
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.2804 0.0376
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.2804 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.2804 0.0376
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.2804 0.0376
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0107 0.0107
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.2523 0.2442
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.2523 0.5
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0107 0.0381
Schistosoma mansoni DNA helicase recq1 0.0021 0.2804 0.2804
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0107 0.0381
Toxoplasma gondii exonuclease III APE 0.002 0.2523 0.8998
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0107 0.0423
Schistosoma mansoni DNA helicase recq5 0.0021 0.2804 0.2804
Echinococcus granulosus bloom syndrome protein 0.0021 0.2804 0.0376
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.2523 0.8998
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 1 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.2804 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.2523 0.8958
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.2804 1
Entamoeba histolytica recQ family helicase, putative 0.0021 0.2804 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.2804 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.2523 1
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.2804 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.2804 1
Schistosoma mansoni ap endonuclease 0.002 0.2523 0.2523
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.2804 0.0376
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.2804 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 1 1
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.2804 0.0376
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.2804 0.0376
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.2804 0.0376
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.2804 1
Echinococcus multilocularis bloom syndrome protein 0.0021 0.2804 0.0376
Schistosoma mansoni ap endonuclease 0.002 0.2523 0.2523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.2523 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2804 0.2726
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0107 0.000000002293
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.2804 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.2523 0.5
Loa Loa (eye worm) RecQ helicase 0.0021 0.2804 0.2726

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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