Detailed information for compound 722233

Basic information

Technical information
  • TDR Targets ID: 722233
  • Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-t riazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ace tamide
  • MW: 387.479 | Formula: C17H17N5O2S2
  • H donors: 1 H acceptors: 4 LogP: 2.92 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCC(=O)Nc2nccs2)nnc1c1ccc(cc1)OC
  • InChi: 1S/C17H17N5O2S2/c1-3-9-22-15(12-4-6-13(24-2)7-5-12)20-21-17(22)26-11-14(23)19-16-18-8-10-25-16/h3-8,10H,1,9,11H2,2H3,(H,18,19,23)
  • InChiKey: MPOVOVKVTRTZRU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide
  • 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)acetamide
  • 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-thiazol-2-yl-acetamide
  • 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide
  • ZINC01118162
  • STK137086

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 PHD-finger family protein 0.0027 0.0868 0.075
Trichomonas vaginalis set domain proteins, putative 0.0238 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2374 1
Schistosoma mansoni hypothetical protein 0.0021 0.0612 0.2188
Entamoeba histolytica MIR domain protein 0.005 0.1872 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.1038 0.3925
Schistosoma mansoni bromodomain containing protein 0.0065 0.2529 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0962 0.0943
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0382 0.0382
Brugia malayi CXXC zinc finger family protein 0.0029 0.0962 0.086
Trichomonas vaginalis mannosyltransferase 1, putative 0.0137 0.5615 0.5615
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.005 0.1863 0.7537
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0612 0.0536
Mycobacterium leprae Conserved membrane protein 0.0027 0.0896 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0457 0.1556
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.1776 0.6933
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.5615 0.5615
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.1863 0.199
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2347 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Echinococcus multilocularis cpg binding protein 0.0032 0.1115 0.4526
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1274 0.5216
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0233 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1699 0.6617
Giardia lamblia Kinase, CMGC GSK 0.005 0.1863 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1699 0.6617
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0233 0.0233
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0233 0.0233
Echinococcus multilocularis stromal cell derived factor 2 0.005 0.1872 0.7816
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.1038 0.4189
Loa Loa (eye worm) hypothetical protein 0.0048 0.1776 0.1889
Echinococcus granulosus ryanodine receptor 44f 0.005 0.1872 0.7816
Brugia malayi Bromodomain containing protein 0.0038 0.1376 0.1346
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.2347 0.9884
Trichomonas vaginalis mannosyltransferase 1, putative 0.0027 0.0896 0.0896
Trypanosoma brucei protein kinase, putative 0.005 0.1863 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2374 1
Schistosoma mansoni zinc finger protein 0.0015 0.0381 0.1247
Plasmodium vivax glycogen synthase kinase 3, putative 0.005 0.1863 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1699 0.1799
Brugia malayi Bromodomain containing protein 0.0077 0.3036 0.3293
Loa Loa (eye worm) hypothetical protein 0.0044 0.1635 0.1726
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2347 1
Brugia malayi Pre-SET motif family protein 0.0209 0.8755 1
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.5615 0.5615
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.5615 0.5615
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.2347 0.9884
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.005 0.1863 0.7286
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.5615 0.5615
Loa Loa (eye worm) hypothetical protein 0.0041 0.1482 0.1547
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1699 0.1724
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.1038 0.3925
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0233 0.0233
Echinococcus multilocularis protein kinase shaggy 0.005 0.1863 0.7777
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.1776 0.74
Loa Loa (eye worm) hypothetical protein 0.005 0.1872 0.2
Schistosoma mansoni ryanodine receptor related 0.005 0.1872 0.7323
Brugia malayi MIR domain containing protein 0.005 0.1872 0.1927
Trichomonas vaginalis mannosyltransferase 1, putative 0.0027 0.0896 0.0896
Giardia lamblia Kinase, CMGC GSK 0.005 0.1863 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.2403 0.9488
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.5615 0.5615
Trichomonas vaginalis mannosyltransferase 1, putative 0.0027 0.0896 0.0896
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.2347 1
Echinococcus multilocularis zinc finger protein 0.0021 0.0637 0.2444
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0233 0.0233
Trichomonas vaginalis mannosyltransferase 1, putative 0.0027 0.0896 0.0896
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.1863 0.199
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0765 0.3003
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.2347 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1863 0.1863
Schistosoma mansoni inositol 145-trisphosphate receptor 0.005 0.1872 0.7323
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.8755 1
Schistosoma mansoni cpg binding protein 0.0029 0.0962 0.3614
Schistosoma mansoni zinc finger protein 0.0021 0.0637 0.229
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.2347 1
Trichomonas vaginalis mannosyltransferase, putative 0.0027 0.0896 0.0896
Loa Loa (eye worm) hypothetical protein 0.0071 0.278 0.3056
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1863 0.1863
Loa Loa (eye worm) hypothetical protein 0.0038 0.1379 0.1428
Trichomonas vaginalis mannosyltransferase 1, putative 0.005 0.1872 0.1872
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.005 0.1872 0.2
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0765 0.3003
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Echinococcus granulosus zinc finger protein 0.0021 0.0637 0.2444
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.005 0.1863 1
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.005 0.1872 0.1927
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1274 0.5216
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.1776 0.74
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0765 0.2813
Schistosoma mansoni cpg binding protein 0.0032 0.1115 0.424
Onchocerca volvulus 0.005 0.1863 0.0997
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0483 0.0387
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0457 0.1661
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1699 0.7063
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1699 0.7063
Echinococcus granulosus stromal cell derived factor 2 0.005 0.1872 0.7816
Loa Loa (eye worm) hypothetical protein 0.005 0.1872 0.2
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.005 0.1863 0.6301
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.1776 0.6933
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.5615 0.5615
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0151 0.033
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0457 0.1556
Trichomonas vaginalis mannosyltransferase 1, putative 0.0137 0.5615 0.5615
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Schistosoma mansoni hypothetical protein 0.0015 0.0381 0.1247
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Echinococcus granulosus protein kinase shaggy 0.005 0.1863 0.7777
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2347 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0457 0.1661
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Onchocerca volvulus 0.0031 0.1038 0.0084
Brugia malayi cation channel family protein 0.005 0.1872 0.1927
Trichomonas vaginalis mannosyltransferase 1, putative 0.0137 0.5615 0.5615
Echinococcus granulosus glycogen synthase kinase 3 beta 0.005 0.1863 0.7777
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.2224 0.9059
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.005 0.1863 0.7777
Echinococcus granulosus cpg binding protein 0.0032 0.1115 0.4526
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1699 0.7063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1699 0.6617
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0151 0.033
Onchocerca volvulus 0.005 0.1872 0.1007
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.005 0.1872 0.7323
Brugia malayi Pre-SET motif family protein 0.0031 0.1038 0.0949
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2347 0.9259
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0963 0.3864
Plasmodium falciparum glycogen synthase kinase 3 0.005 0.1863 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1699 0.7063
Loa Loa (eye worm) MIR domain-containing protein 0.005 0.1872 0.2
Echinococcus multilocularis ryanodine receptor 44f 0.005 0.1872 0.7816
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2347 0.9259
Schistosoma mansoni cpg binding protein 0.0032 0.1115 0.424
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.5615 0.5615
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0896 0.0896
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0233 0.0233
Brugia malayi intracellular kinase 0.005 0.1863 0.1917

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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