Detailed information for compound 709348

Basic information

Technical information
  • TDR Targets ID: 709348
  • Name: 1-(4-bromophenyl)-2-[[5-[(4-methoxyphenyl)met hyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfany l]ethanone
  • MW: 458.371 | Formula: C21H20BrN3O2S
  • H donors: 0 H acceptors: 3 LogP: 5.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1Cc1ccc(cc1)OC
  • InChi: 1S/C21H20BrN3O2S/c1-3-12-25-20(13-15-4-10-18(27-2)11-5-15)23-24-21(25)28-14-19(26)16-6-8-17(22)9-7-16/h3-11H,1,12-14H2,2H3
  • InChiKey: BXIGBFLXKUNDOI-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
  • 2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone
  • 2-[[4-allyl-5-(4-methoxybenzyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone
  • STK137764
  • ZINC02858324

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 Inositol-1 0.0037 0.2795 0.1913
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.2795 0.6654
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.3372 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.4935 0.474
Loa Loa (eye worm) hypothetical protein 0.0033 0.1818 0.1717
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2795 0.1372
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.1855 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.3372 0.2063
Echinococcus granulosus lamin 0.0056 0.7391 0.729
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.7391 0.7071
Echinococcus multilocularis lamin dm0 0.0056 0.7391 0.7391
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.2795 0.6654
Loa Loa (eye worm) pyruvate kinase 0.0032 0.1649 0.1546
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.3372 0.329
Echinococcus multilocularis musashi 0.0056 0.7391 0.7391
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.3372 0.2063
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.1649 0.0627
Echinococcus multilocularis pyruvate kinase 0.0032 0.1649 0.1649
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.3372 0.256
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2795 0.1372
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.3372 0.3117
Leishmania major DNA polymerase kappa, putative 0.0039 0.3372 0.2063
Schistosoma mansoni inositol monophosphatase 0.0037 0.2795 0.1372
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.4935 0.4873
Schistosoma mansoni inositol monophosphatase 0.0037 0.2795 0.1372
Schistosoma mansoni lamin 0.0056 0.7391 0.6875
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.1649 0.1294
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4935 0.3935
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.3372 0.2063
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.3372 0.309
Trypanosoma brucei DNA polymerase eta, putative 0.0067 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.2795 0.6654
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.2795 0.6654
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.3372 0.2063
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.037 0.037
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.3372 1
Echinococcus granulosus dna polymerase eta 0.0067 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.3372 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.7142 0.7107
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.4935 0.4315
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.3372 1
Leishmania major DNA polymerase eta, putative 0.004 0.3414 0.2113
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.2795 0.2519
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.3372 0.309
Schistosoma mansoni intermediate filament proteins 0.0056 0.7391 0.6875
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.3414 0.2113
Schistosoma mansoni DNA polymerase eta 0.0067 1 1
Echinococcus multilocularis dna polymerase kappa 0.0039 0.3372 0.3372
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Loa Loa (eye worm) hypothetical protein 0.0032 0.1649 0.1546
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.3372 0.3372
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.3372 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Trypanosoma brucei unspecified product 0.0039 0.3372 0.309
Loa Loa (eye worm) intermediate filament protein 0.0056 0.7391 0.7359
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.3372 0.309
Echinococcus granulosus intermediate filament protein 0.0056 0.7391 0.729
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.2795 0.2795
Onchocerca volvulus 0.0056 0.7391 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.7391 0.7359
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.4935 0.474
Chlamydia trachomatis pyruvate kinase 0.0032 0.1649 0.5
Trypanosoma brucei pyruvate kinase 1 0.0032 0.1649 0.1294
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.2795 0.6495
Loa Loa (eye worm) hypothetical protein 0.0027 0.037 0.0251
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2795 0.1372
Loa Loa (eye worm) pyruvate kinase 0.0032 0.1649 0.1546
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.3372 1
Onchocerca volvulus 0.0056 0.7391 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.7391 0.7359
Schistosoma mansoni hypothetical protein 0.0033 0.1818 0.0202
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.3372 0.2063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4935 0.3935
Leishmania major DNA polymerase eta, putative 0.0067 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.3372 0.2063
Echinococcus granulosus pyruvate kinase 0.0032 0.1649 0.1328
Plasmodium vivax pyruvate kinase, putative 0.0032 0.1649 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.1091 0.0981
Echinococcus multilocularis dna polymerase eta 0.0067 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.4935 0.4935
Brugia malayi intermediate filament protein 0.0056 0.7391 0.7071
Echinococcus granulosus dna polymerase kappa 0.0039 0.3372 0.3117
Echinococcus granulosus pyruvate kinase 0.0032 0.1649 0.1328
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2795 0.2489
Giardia lamblia DINP protein human, muc B family 0.0039 0.3372 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4935 0.3935
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.5519 0.4971
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.5519 0.4971
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.3372 0.309
Echinococcus granulosus lamin dm0 0.0056 0.7391 0.729
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.3372 1
Echinococcus multilocularis lamin 0.0056 0.7391 0.7391
Loa Loa (eye worm) hypothetical protein 0.0048 0.5519 0.5464
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.5519 0.5464
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.1649 0.0627
Toxoplasma gondii ImpB/MucB/SamB family protein 0.004 0.3414 1
Plasmodium falciparum pyruvate kinase 0.0032 0.1649 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1818 0.0817
Echinococcus multilocularis pyruvate kinase 0.0032 0.1649 0.1649
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.4935 0.4935
Loa Loa (eye worm) pyruvate kinase 0.0032 0.1649 0.1546
Schistosoma mansoni lamin 0.0056 0.7391 0.6875
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.2795 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.1855 0.1194
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.3372 0.2063
Loa Loa (eye worm) inositol-1 0.0037 0.2795 0.2707

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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