Detailed information for compound 817546

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.492 | Formula: C17H26N6O2S
  • H donors: 1 H acceptors: 5 LogP: 0.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(c1nnc2n1CCN(CC2)Cc1cccnc1)NS(=O)(=O)C)C
  • InChi: 1S/C17H26N6O2S/c1-13(2)16(21-26(3,24)25)17-20-19-15-6-8-22(9-10-23(15)17)12-14-5-4-7-18-11-14/h4-5,7,11,13,16,21H,6,8-10,12H2,1-3H3
  • InChiKey: GRHYEAVBLSTFAM-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 gamma secretase subunit aph 1 0.0494 1 1
Trypanosoma brucei Aph-1 protein, putative 0.0193 0.3401 0.9136
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Echinococcus granulosus gamma secretase subunit aph 1 0.0494 1 1
Brugia malayi Protein kinase domain containing protein 0.0114 0.1692 0.0993
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0207 0.3723 1
Echinococcus granulosus presenilin 0.0207 0.3723 0.3723
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Loa Loa (eye worm) animal heme peroxidase 0.0293 0.5592 0.5221
Loa Loa (eye worm) blistered cuticle protein 3 0.0293 0.5592 0.5221
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0207 0.3723 1
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0207 0.3723 1
Echinococcus granulosus Nicastrin 0.0101 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0207 0.3723 1
Echinococcus multilocularis peroxidasin 0.0293 0.5596 0.5596
Brugia malayi Animal haem peroxidase family protein 0.0293 0.5592 0.5221
Loa Loa (eye worm) animal heme peroxidase 0.0293 0.5592 0.5221
Brugia malayi Animal haem peroxidase family protein 0.0293 0.5592 0.5221
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.0115 0.1708 0.1708
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Trypanosoma cruzi Aph-1 protein, putative 0.0193 0.3401 0.9136
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Brugia malayi hypothetical protein 0.0101 0.1398 0.0674
Brugia malayi Peroxidasin 0.0293 0.5596 0.5225
Echinococcus multilocularis Nicastrin 0.0101 0.1398 0.1398
Schistosoma mansoni gamma-secretase subunit aph-1 0.0494 1 1
Brugia malayi Animal haem peroxidase family protein 0.0293 0.5592 0.5221
Loa Loa (eye worm) animal heme peroxidase 0.0293 0.5592 0.5221
Brugia malayi gamma-secretase subunit pen-2 0.0195 0.3444 0.2892
Brugia malayi Presenilin family protein 0.0207 0.3723 0.3194
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0207 0.3723 1
Brugia malayi Blistered cuticle protein 3 0.0293 0.5592 0.5221
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Loa Loa (eye worm) TKL/LRRK protein kinase 0.0114 0.1692 0.0993
Loa Loa (eye worm) hypothetical protein 0.0293 0.5596 0.5225
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Loa Loa (eye worm) animal heme peroxidase 0.0293 0.5592 0.5221
Echinococcus multilocularis presenilin enhancer 2 0.0195 0.3444 0.3444
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0207 0.3723 0.2702
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Brugia malayi Animal haem peroxidase family protein 0.0293 0.5592 0.5221
Schistosoma mansoni peroxidasin 0.0293 0.5596 0.488
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0059 0.0469 0.1259
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0207 0.3723 1
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0114 0.1692 0.1692
Loa Loa (eye worm) hypothetical protein 0.0101 0.1398 0.0674
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Echinococcus granulosus peroxidasin 0.0293 0.5596 0.5596
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0195 0.3444 0.2892
Trypanosoma cruzi Aph-1 protein, putative 0.0193 0.3401 0.9136
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0207 0.3723 1
Brugia malayi hypothetical protein 0.0101 0.1398 0.0674
Echinococcus multilocularis presenilin 0.0207 0.3723 0.3723
Entamoeba histolytica presenilin 1 peptidase, putative 0.0207 0.3723 1
Onchocerca volvulus Peroxidasin homolog 0.0294 0.5616 1
Brugia malayi hypothetical protein 0.0293 0.5592 0.5221
Toxoplasma gondii hypothetical protein 0.0073 0.0776 1
Brugia malayi Animal haem peroxidase family protein 0.0293 0.5592 0.5221
Loa Loa (eye worm) hypothetical protein 0.0293 0.5592 0.5221
Echinococcus granulosus presenilin enhancer 2 0.0195 0.3444 0.3444
Schistosoma mansoni peroxidasin 0.0293 0.5592 0.4876
Echinococcus multilocularis Nicastrin 0.0101 0.1398 0.1398

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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