Detailed information for compound 628292

Basic information

Technical information
  • TDR Targets ID: 628292
  • Name: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-n itrophenyl)prop-2-enamide
  • MW: 331.346 | Formula: C15H13N3O4S
  • H donors: 1 H acceptors: 5 LogP: 2.79 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nc(c(s1)C(=O)C)C)C=Cc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C15H13N3O4S/c1-9-14(10(2)19)23-15(16-9)17-13(20)8-5-11-3-6-12(7-4-11)18(21)22/h3-8H,1-2H3,(H,16,17,20)/b8-5+
  • InChiKey: KTSMYMSKQIMYQL-VMPITWQZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
  • N-(5-acetyl-4-methyl-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
  • (E)-N-(5-acetyl-4-methyl-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
  • (E)-N-(5-acetyl-4-methyl-2-thiazolyl)-3-(4-nitrophenyl)prop-2-enamide
  • N-(5-acetyl-4-methyl-2-thiazolyl)-3-(4-nitrophenyl)prop-2-enamide
  • N-(5-acetyl-4-methyl-thiazol-2-yl)-3-(4-nitrophenyl)acrylamide
  • (E)-N-(5-acetyl-4-methyl-thiazol-2-yl)-3-(4-nitrophenyl)acrylamide
  • N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
  • (E)-N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
  • ZINC04078850

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
Echinococcus granulosus zinc finger protein 0.0021 0.2163 0.2597
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.2583 0.3096
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.7777 0.9322
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.1664 0.1994
Schistosoma mansoni cpg binding protein 0.0028 0.3224 0.3865
Trypanosoma brucei ISWI complex protein 0.0015 0.1327 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.4244 0.5313
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.1664 0.1946
Schistosoma mansoni hypothetical protein 0.002 0.2081 0.2494
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.042 0.0323
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5
Schistosoma mansoni cpg binding protein 0.0032 0.3726 0.4466
Echinococcus multilocularis cpg binding protein 0.0032 0.3726 0.4637
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.2583 0.3145
Schistosoma mansoni zinc finger protein 0.0015 0.1327 0.159
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.7837 1
Brugia malayi Bromodomain containing protein 0.0037 0.4579 0.4187
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.1664 0.1994
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0084 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5
Brugia malayi PHD-finger family protein 0.0026 0.2918 0.2406
Loa Loa (eye worm) hypothetical protein 0.0043 0.5425 0.5921
Loa Loa (eye worm) PHD-finger family protein 0.002 0.2081 0.2271
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.4244 0.5313
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.2583 0.3145
Echinococcus multilocularis zinc finger protein 0.0021 0.2163 0.2597
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.7192 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0172 0.0207
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0084 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0084 0.5
Schistosoma mansoni cpg binding protein 0.0032 0.3726 0.4466
Schistosoma mansoni bromodomain containing protein 0.0063 0.8343 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0084 0.5
Echinococcus granulosus cpg binding protein 0.0032 0.3726 0.4637
Loa Loa (eye worm) histone methyltransferase 0.0009 0.042 0.0458
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0084 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.1662 0.1813
Onchocerca volvulus 0.0028 0.3224 0.5
Brugia malayi CXXC zinc finger family protein 0.0028 0.3224 0.2735
Loa Loa (eye worm) hypothetical protein 0.0017 0.1664 0.1816
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.1575 0.1888
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0084 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.1664 0.1946
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.042 0.0323
Leishmania major hypothetical protein, conserved 0.0015 0.1327 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.3224 0.3519
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.1575 0.1888
Loa Loa (eye worm) hypothetical protein 0.0069 0.9164 1
Schistosoma mansoni hypothetical protein 0.0015 0.1327 0.159
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5
Schistosoma mansoni zinc finger protein 0.0021 0.2163 0.2593
Trypanosoma cruzi ISWI complex protein 0.0015 0.1327 0.5
Trichomonas vaginalis helicase, putative 0.0006 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.4589 0.5008
Trypanosoma cruzi ISWI complex protein 0.0015 0.1327 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.7837 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.1575 0.183
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.4924 0.5373
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.1575 0.183
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0084 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0084 0.5

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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