Detailed information for compound 679180

Basic information

Technical information
  • TDR Targets ID: 679180
  • Name: N-cyclohexyl-2-[[5-(4-nitrophenyl)-4-prop-2-e nyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • MW: 401.483 | Formula: C19H23N5O3S
  • H donors: 1 H acceptors: 5 LogP: 3.66 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCC(=O)NC2CCCCC2)nnc1c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C19H23N5O3S/c1-2-12-23-18(14-8-10-16(11-9-14)24(26)27)21-22-19(23)28-13-17(25)20-15-6-4-3-5-7-15/h2,8-11,15H,1,3-7,12-13H2,(H,20,25)
  • InChiKey: YELAPRLPPBSBJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide
  • 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide
  • 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide
  • N-cyclohexyl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • STK147460
  • ZINC03555857

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 multilocularis Transcription factor, JmjC domain containing protein 0.0153 1 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.3344 0.3943
Toxoplasma gondii melibiase subfamily protein 0.0102 0.5985 1
Brugia malayi jmjC domain containing protein 0.0094 0.5341 0.5341
Brugia malayi Melibiase family protein 0.0068 0.3344 0.3344
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0153 1 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.3344 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0695 0.0695
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.5985 0.7057
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0314 0.0371
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.3344 0.3943
Schistosoma mansoni hypothetical protein 0.0029 0.0314 0.0371
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.2717 0.5087
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.5985 0.5985
Schistosoma mansoni jumonji domain containing protein 0.0134 0.8481 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.5985 0.7057
Echinococcus multilocularis lysine specific demethylase 5A 0.0094 0.5341 0.5341
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0025 0 0.5
Brugia malayi PHD-finger family protein 0.0029 0.0314 0.0314
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0314 1
Giardia lamblia PHD finger protein 15 0.0029 0.0314 0.5
Plasmodium falciparum phd finger protein, putative 0.0029 0.0314 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.3344 0.6261
Loa Loa (eye worm) hypothetical protein 0.0065 0.314 0.5879
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1916 0.3588
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0025 0 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0094 0.5341 0.5341
Echinococcus granulosus jumonji domain containing protein 0.004 0.1198 0.1198
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0314 0.0314
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0314 0.0525
Loa Loa (eye worm) hypothetical protein 0.0029 0.0314 0.0588
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0025 0 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.5985 0.7057
Schistosoma mansoni hypothetical protein 0.0034 0.0695 0.082
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0314 0.0588
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0314 0.0314
Schistosoma mansoni jumonji/arid domain-containing protein 0.0094 0.5341 0.6297
Schistosoma mansoni jumonji/arid domain-containing protein 0.0094 0.5341 0.6297
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.5985 0.5985
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1916 0.1916
Brugia malayi Bromodomain containing protein 0.0029 0.0314 0.0314
Loa Loa (eye worm) jmjC domain-containing protein 0.0094 0.5341 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1916 0.3588
Leishmania major hypothetical protein, conserved 0.0025 0 0.5
Echinococcus multilocularis jumonji domain containing protein 0.004 0.1198 0.1198
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.5985 0.5985
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0314 0.0525
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1916 0.1916
Echinococcus granulosus peregrin 0.0029 0.0314 0.0314
Onchocerca volvulus Alhambra homolog 0.0029 0.0314 0.5
Echinococcus multilocularis peregrin 0.0029 0.0314 0.0314
Loa Loa (eye worm) hypothetical protein 0.0034 0.0695 0.1302
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.5985 0.7057

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.