Detailed information for compound 912423

Basic information

Technical information
  • TDR Targets ID: 912423
  • Name: N-(5,6-dihydro-[1,3]thiazolo[3,2-d][1,2,4]tri azol-3-yl)-2-(4-methoxyphenoxy)acetamide
  • MW: 306.34 | Formula: C13H14N4O3S
  • H donors: 1 H acceptors: 3 LogP: 1.16 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OCC(=O)Nc1nnc2n1CCS2
  • InChi: 1S/C13H14N4O3S/c1-19-9-2-4-10(5-3-9)20-8-11(18)14-12-15-16-13-17(12)6-7-21-13/h2-5H,6-8H2,1H3,(H,14,15,18)
  • InChiKey: VERVXNBCABYFSC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5,6-dihydrothiazolo[3,2-d][1,2,4]triazol-3-yl)-2-(4-methoxyphenoxy)acetamide
  • N-(5,6-dihydro-[1,3]thiazolo[3,2-d][1,2,4]triazol-3-yl)-2-(4-methoxyphenoxy)ethanamide
  • G844-0258
  • NCGC00134979-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
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 eukaryotic translation initiation factor 2 alpha 0.0336 0.3872 0.3854
Onchocerca volvulus 0.0286 0.326 1
Brugia malayi hypothetical protein 0.0336 0.3872 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2832 0.7316
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0435 0.0408
Brugia malayi Pre-SET motif family protein 0.0036 0.0181 0.0195
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma brucei protein kinase, putative 0.0336 0.3872 0.5
Echinococcus granulosus tumor protein p63 0.0408 0.4762 0.4747
Entamoeba histolytica protein kinase domain containing protein 0.0336 0.3872 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0181 0.0153
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0372 0.096
Onchocerca volvulus 0.006 0.0473 0.0947
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0272 0.0244
Plasmodium vivax SET domain protein, putative 0.0036 0.0181 0.5
Echinococcus multilocularis tumor protein p63 0.0408 0.4762 0.4747
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0181 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0435 0.0408
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0625 0.0598
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0625 0.0598
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0073 0.0044
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0272 0.0244
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0073 0.0044
Entamoeba histolytica protein kinase domain containing protein 0.0336 0.3872 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0473 0.1221
Echinococcus multilocularis eukaryotic translation initiation factor 2 alpha 0.0336 0.3872 0.3854
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0016
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0181 0.0153
Loa Loa (eye worm) hypothetical protein 0.0085 0.0789 0.2038
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0073 0.0044
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0165 0.0137
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0435 0.0408
Trypanosoma brucei eukaryotic translation initiation factor 2-alpha kinase 1, putative 0.0336 0.3872 0.5
Brugia malayi Bromodomain containing protein 0.0091 0.0853 0.1979
Schistosoma mansoni bromodomain containing protein 0.0076 0.0678 0.0652
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0181 0.0153
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0435 0.0408
Brugia malayi Bromodomain containing protein 0.0046 0.0307 0.0529
Leishmania major protein kinase, putative 0.0336 0.3872 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0044 0.0114
Loa Loa (eye worm) hypothetical protein 0.0046 0.0308 0.0795
Brugia malayi Pre-SET motif family protein 0.0251 0.2832 0.7239
Loa Loa (eye worm) hypothetical protein 0.0049 0.0343 0.0886
Loa Loa (eye worm) PEK/HRI protein kinase 0.0336 0.3872 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0473 0.0446
Loa Loa (eye worm) hypothetical protein 0.0057 0.0435 0.1123
Trichomonas vaginalis set domain proteins, putative 0.0286 0.326 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

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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