Detailed information for compound 738213

Basic information

Technical information
  • TDR Targets ID: 738213
  • Name: methyl 5-[[5-(2-methoxyphenyl)-1H-1,2,4-triaz ol-3-yl]sulfanylmethyl]furan-2-carboxylate
  • MW: 345.373 | Formula: C16H15N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.55 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(o1)CSc1n[nH]c(n1)c1ccccc1OC
  • InChi: 1S/C16H15N3O4S/c1-21-12-6-4-3-5-11(12)14-17-16(19-18-14)24-9-10-7-8-13(23-10)15(20)22-2/h3-8H,9H2,1-2H3,(H,17,18,19)
  • InChiKey: XGBDGRSOGFPVTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester
  • 5-[[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester
  • ZINC00612462
  • CBKinase1_019749
  • CBKinase1_007349

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 conserved hypothetical protein 0.0006 0.051 0.1969
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.4268 0.4238
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0913 0.0865
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.2591 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.051 0.1969
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.051 0.1969
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.2591 0.2553
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.2591 0.2553
Loa Loa (eye worm) TAR-binding protein 0.0062 1 1
Echinococcus granulosus cpg binding protein 0.003 0.4545 0.4517
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.2591 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.2591 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.2591 0.5
Schistosoma mansoni cpg binding protein 0.003 0.4545 0.4517
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.2591 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 1 1
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0004 0.0052 0.0199
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.051 0.1969
Onchocerca volvulus 0.0029 0.4268 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.051 0.1969
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.051 0.1969
Schistosoma mansoni cpg binding protein 0.0029 0.4268 0.4238
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.2591 1
Schistosoma mansoni ap endonuclease 0.0019 0.2591 0.2553
Brugia malayi RNA recognition motif domain containing protein 0.0062 1 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.4268 0.4238
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0616 0.0568
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.2591 1
Trichomonas vaginalis Phospholipase C precursor, putative 0.0004 0.0052 0.0199
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.051 0.1969
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.2591 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.2591 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0052 0.0199
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.2591 1
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0004 0.0052 0.0199
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0004 0.0052 0.0199
Toxoplasma gondii exonuclease III APE 0.0019 0.2591 0.2966
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0052 0.0199
Echinococcus granulosus tar DNA binding protein 0.0062 1 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0052 0.0199
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0106 0.0055
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Schistosoma mansoni cpg binding protein 0.003 0.4545 0.4517
Trichomonas vaginalis helicase, putative 0.0006 0.051 0.1969
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0004 0.0052 0.0199
Echinococcus multilocularis cpg binding protein 0.003 0.4545 0.4517
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0913 0.0865
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.051 0.1969
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.051 0.1969
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0616 0.0568
Brugia malayi TAR-binding protein 0.0062 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.051 0.1969
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.051 0.1969
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0893 0.0846
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.051 0.1969
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.051 0.1969
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.2591 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.2591 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.051 0.1969
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.051 0.1969
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0913 0.0865
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0616 0.0568
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.2591 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.9715 0.9714
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.051 0.1969
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.2591 0.2553
Echinococcus multilocularis tar DNA binding protein 0.0062 1 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0616 0.0568
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.2591 0.2553
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.8614 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.2591 1
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0004 0.0052 0.0199
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.051 0.1969
Schistosoma mansoni ap endonuclease 0.0019 0.2591 0.2553
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0616 0.0568

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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