Detailed information for compound 1841700

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 273.35 | Formula: C15H15NO2S
  • H donors: 1 H acceptors: 1 LogP: 3.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OCc1ccccc1)NCSc1ccccc1
  • InChi: 1S/C15H15NO2S/c17-15(18-11-13-7-3-1-4-8-13)16-12-19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
  • InChiKey: CVZDMKUDXCBMCX-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
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.1273 1 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0247 0.0799 0.0799
Loa Loa (eye worm) initiation factor 2-associated protein 0.1273 1 1
Mycobacterium tuberculosis Probable cytoplasmic peptidase PepQ 0.0158 0 0.5
Mycobacterium tuberculosis Dipeptidase PepE 0.0158 0 0.5
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0247 0.0799 0.0799
Plasmodium falciparum methionine aminopeptidase 2 0.1273 1 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.1273 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.1273 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.1273 1 1
Mycobacterium ulcerans methionine aminopeptidase 0.0158 0 0.5
Mycobacterium leprae Probable cytoplasmic peptidase PepQ 0.0158 0 0.5
Mycobacterium ulcerans dipeptidase PepE 0.0158 0 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0158 0 0.5
Mycobacterium ulcerans dipeptidase 0.0158 0 0.5
Treponema pallidum aminopeptidase P 0.0158 0 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0247 0.0799 0.0799
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0158 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.1273 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0158 0 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.1273 1 1
Leishmania major methionine aminopeptidase 2, putative 0.1273 1 1
Echinococcus granulosus methionyl aminopeptidase 2 0.1273 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0158 0 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0247 0.0799 0.0799
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.1273 1 1
Giardia lamblia Methionine aminopeptidase 0.1273 1 1
Trypanosoma brucei methionine aminopeptidase 2, putative 0.1273 1 1
Mycobacterium ulcerans aminopeptidase 0.0158 0 0.5
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.1273 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.1273 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0158 0 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0247 0.0799 0.0799
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.1273 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0158 0 0.5
Plasmodium vivax methionine aminopeptidase 2, putative 0.1273 1 1
Toxoplasma gondii methionine aminopeptidase 2, putative 0.1273 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0247 0.0799 0.0799
Chlamydia trachomatis aminopeptidase P 0.0158 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.1273 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0158 0 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0247 0.0799 0.0799
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0158 0 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0158 0 0.5
Mycobacterium ulcerans cytoplasmic peptidase PepQ 0.0158 0 0.5

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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