Detailed information for compound 1801933

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.379 | Formula: C15H19NO6S
  • H donors: 3 H acceptors: 4 LogP: 0.26 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)[C@@H]1SCC(=O)N1c1cccc(c1)OC
  • InChi: 1S/C15H19NO6S/c1-21-9-4-2-3-8(5-9)16-11(18)7-23-15(16)14-13(20)12(19)10(6-17)22-14/h2-5,10,12-15,17,19-20H,6-7H2,1H3/t10-,12-,13+,14+,15+/m1/s1
  • InChiKey: YHUUAZVRHYXOKJ-IKSZGEOFSA-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
Toxoplasma gondii subtilisin SUB1 0.0176 0.547 1
Entamoeba histolytica alpha-amylase family protein 0.0236 0.7666 1
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.0105 0.2881 1
Onchocerca volvulus 0.0071 0.166 0.7864
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0105 0.2881 0.3758
Brugia malayi C1-like domain containing protein 0.0072 0.1669 0.1669
Loa Loa (eye worm) hypothetical protein 0.0064 0.1373 0.1374
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0105 0.2881 0.5
Toxoplasma gondii glycosyltransferase 0.0105 0.2881 0.5267
Schistosoma mansoni protein kinase C mu 0.0072 0.1669 0.5794
Loa Loa (eye worm) hypothetical protein 0.0064 0.1373 0.1374
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0105 0.2881 1
Trichomonas vaginalis amylase, putative 0.0236 0.7666 1
Entamoeba histolytica alpha-amylase family protein 0.0236 0.7666 1
Trichomonas vaginalis alpha-amylase, putative 0.0236 0.7666 1
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0105 0.2881 0.5267
Plasmodium vivax subtilisin-like protease 1 0.0176 0.547 0.5
Onchocerca volvulus 0.0074 0.1738 1
Trichomonas vaginalis alpha-amylase, putative 0.0236 0.7666 1
Schistosoma mansoni starch branching enzyme II 0.0105 0.2881 1
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0072 0.1669 0.1669
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0105 0.2881 0.2881
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0064 0.1382 0.1383
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.166 0.1662
Loa Loa (eye worm) hypothetical protein 0.03 0.9991 1
Trichomonas vaginalis amylase, putative 0.0236 0.7666 1
Trichomonas vaginalis starch branching enzyme II, putative 0.0105 0.2881 0.3758
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0105 0.2881 0.3758
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0105 0.2881 0.5267
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0072 0.1669 0.1671
Trichomonas vaginalis alpha-amylase, putative 0.0236 0.7666 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1738 0.174
Loa Loa (eye worm) hypothetical protein 0.0105 0.2881 0.2883
Trichomonas vaginalis alpha-amylase, putative 0.0236 0.7666 1
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0105 0.2881 1
Trichomonas vaginalis alpha-amylase, putative 0.021 0.6724 0.8772
Mycobacterium ulcerans glycogen branching protein 0.0105 0.2881 1
Plasmodium falciparum subtilisin-like protease 1 0.0176 0.547 0.5
Trichomonas vaginalis amylase, putative 0.0105 0.2881 0.3758
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0105 0.2881 1

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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