Detailed information for compound 1573129

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.412 | Formula: C15H22N2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][S+]1(=O)CC(CN1CCc1ccccc1)N1CCCC1
  • InChi: 1S/C15H22N2O2S/c18-20(19)13-15(16-9-4-5-10-16)12-17(20)11-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
  • InChiKey: MDUUQXIIZRPWNA-UHFFFAOYSA-N  


Substructure search Similarity search

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
Toxoplasma gondii adhesion regulating molecule region protein, putative 0.0723 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0051 0.0356 0.288
Brugia malayi cathepsin B-like cysteine proteinase 0.0143 0.167 0.167
Entamoeba histolytica cysteine proteinase, putative 0.0026 0 0.5
Echinococcus granulosus cathepsin b 0.0143 0.167 0.167
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0113 0.1238 0.7408
Giardia lamblia Cathepsin B precursor 0.0051 0.0356 0.5
Echinococcus multilocularis adhesion regulating molecule 1 0.0723 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0026 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0051 0.0356 1
Plasmodium vivax 26S proteasome regulatory subunit RPN13, putative 0.0113 0.1238 1
Trypanosoma brucei proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0113 0.1238 1
Entamoeba histolytica cysteine protease, putative 0.0026 0 0.5
Echinococcus granulosus adhesion regulating molecule 1 0.0723 1 1
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0113 0.1238 0.7408
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0051 0.0356 0.0356
Onchocerca volvulus Proteasomal ubiquitin receptor ADRM1 homolog 0.0459 0.621 1
Schistosoma mansoni adhesion regulating molecule 1 (110 kD cell membrane glycoprotein) 0.0723 1 1
Leishmania major hypothetical protein, conserved 0.0377 0.5027 1
Loa Loa (eye worm) hypothetical protein 0.0723 1 1
Echinococcus granulosus cathepsin b 0.0143 0.167 0.167
Echinococcus multilocularis cathepsin b 0.0143 0.167 0.167
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0143 0.167 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0051 0.0356 0.0709
Echinococcus multilocularis cathepsin b 0.0143 0.167 0.167
Trypanosoma brucei proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0113 0.1238 1
Plasmodium falciparum 26S proteasome regulatory subunit RPN13, putative 0.0377 0.5027 1
Giardia lamblia Cathepsin B precursor 0.0051 0.0356 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.167 0.167
Loa Loa (eye worm) hypothetical protein 0.0143 0.167 0.167
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0113 0.1238 0.7408
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0143 0.167 0.167
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0051 0.0356 0.2134
Toxoplasma gondii cathepsin B 0.0051 0.0356 0.0356
Entamoeba histolytica cysteine proteinase, putative 0.0026 0 0.5
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0113 0.1238 0.7408
Giardia lamblia Cathepsin B precursor 0.0051 0.0356 0.5
Loa Loa (eye worm) cathepsin B 0.0051 0.0356 0.0356
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.167 0.167
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.167 0.167

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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