Detailed information for compound 1061570

Basic information

Technical information
  • TDR Targets ID: 1061570
  • Name: N-[[4-butyl-5-[2-oxo-2-(phenylamino)ethyl]sul fanyl-1,2,4-triazol-3-yl]methyl]-4-methoxyben zamide
  • MW: 453.557 | Formula: C23H27N5O3S
  • H donors: 2 H acceptors: 4 LogP: 3.14 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1c(CNC(=O)c2ccc(cc2)OC)nnc1SCC(=O)Nc1ccccc1
  • InChi: 1S/C23H27N5O3S/c1-3-4-14-28-20(15-24-22(30)17-10-12-19(31-2)13-11-17)26-27-23(28)32-16-21(29)25-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,24,30)(H,25,29)
  • InChiKey: DJQHIVDXINDJDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[4-butyl-5-[2-oxo-2-(phenylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide
  • N-[[4-butyl-5-[[2-oxo-2-(phenylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
  • N-[[4-butyl-5-[[2-keto-2-(phenylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide
  • C592-1994
  • NCGC00110435-01

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 peregrin 0.0029 0.1349 0.1349
Brugia malayi PHD-finger family protein 0.0029 0.1349 0.1349
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0037 0.2522 0.2522
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0037 0.2522 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.1349 0.25
Brugia malayi jmjC domain containing protein 0.0035 0.2149 0.2149
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0037 0.2522 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.2149 0.2149
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.1349 0.1349
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0037 0.2522 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0037 0.2522 0.4673
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0037 0.2522 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0037 0.2522 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.1349 0.535
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0037 0.2522 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.2149 0.2149
Plasmodium vivax hypothetical protein, conserved 0.0029 0.1349 0.535
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.2149 0.2889
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0037 0.2522 1
Schistosoma mansoni hypothetical protein 0.0029 0.1349 0.1814
Brugia malayi Bromodomain containing protein 0.0029 0.1349 0.1349
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0037 0.2522 0.2522
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 1 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.2839 0.2839
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0037 0.2522 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.4066 0.7532
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.5398 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.1349 0.535
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.1349 0.25
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0 0.5
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0037 0.2522 0.2522
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.1349 0.1349
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0037 0.2522 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0037 0.2522 0.4673
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0037 0.2522 1
Schistosoma mansoni jumonji domain containing protein 0.0074 0.7441 1
Onchocerca volvulus Alhambra homolog 0.0029 0.1349 0.5
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0037 0.2522 0.339
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.1349 0.1814
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.2149 0.2889
Echinococcus multilocularis peregrin 0.0029 0.1349 0.1349
Giardia lamblia PHD finger protein 15 0.0029 0.1349 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0037 0.2522 0.2522
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Plasmodium falciparum phd finger protein, putative 0.0029 0.1349 0.535
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.2149 0.3982
Echinococcus granulosus jumonji domain containing protein 0.004 0.2839 0.2839

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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