Detailed information for compound 996857

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.372 | Formula: C17H16O4S
  • H donors: 0 H acceptors: 2 LogP: 3.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C=C/C#CC#Cc1ccc(s1)C(OC(=O)C)COC(=O)C
  • InChi: 1S/C17H16O4S/c1-4-5-6-7-8-9-15-10-11-17(22-15)16(21-14(3)19)12-20-13(2)18/h4-5,10-11,16H,12H2,1-3H3/b5-4+
  • InChiKey: SZRQIJOTIIDHCG-SNAWJCMRSA-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
Loa Loa (eye worm) hypothetical protein 0.0304 0.4782 0.4713
Brugia malayi MH2 domain containing protein 0.0041 0.0131 0.0131
Schistosoma mansoni hypothetical protein 0.0096 0.111 0.3315
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0184 0.2659 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.2659 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.2659 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0096 0.111 1
Echinococcus multilocularis GPCR, family 2 0.0096 0.111 1
Brugia malayi MH1 domain containing protein 0.0041 0.0131 0.0131
Schistosoma mansoni hypothetical protein 0.0096 0.111 0.3315
Loa Loa (eye worm) hypothetical protein 0.0052 0.0324 0.0195
Brugia malayi latrophilin 2 splice variant baaae 0.0208 0.3082 0.3082
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0096 0.111 1
Leishmania major hypothetical protein, conserved 0.0057 0.0411 1
Schistosoma mansoni hypothetical protein 0.0096 0.111 0.3315
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0184 0.2659 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0304 0.4782 0.4782
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0304 0.4782 0.4782
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0096 0.111 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0127 0.1657 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0304 0.4782 0.4713
Loa Loa (eye worm) MH2 domain-containing protein 0.06 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0324 0.5
Brugia malayi Smad1 0.0041 0.0131 0.0131
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.2659 1
Schistosoma mansoni hypothetical protein 0.0096 0.111 0.3315
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.2659 1
Loa Loa (eye worm) transcription factor SMAD2 0.06 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0096 0.111 0.111
Brugia malayi MH1 domain containing protein 0.0041 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0096 0.111 0.0991
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0411 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0184 0.2659 0.2561
Loa Loa (eye worm) latrophilin receptor protein 2 0.0096 0.111 0.0991
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0411 1
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0411 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.3082 0.299
Brugia malayi hypothetical protein 0.0052 0.0324 0.0324
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0096 0.111 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.2659 1
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0324 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0324 0.5
Onchocerca volvulus 0.0184 0.2659 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.2659 1
Brugia malayi Latrophilin receptor protein 2 0.0096 0.111 0.111
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0184 0.2659 0.2659
Schistosoma mansoni hypothetical protein 0.0208 0.3082 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0184 0.2659 0.5
Brugia malayi MH2 domain containing protein 0.0041 0.0131 0.0131
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0184 0.2659 0.5
Echinococcus granulosus GPCR family 2 0.0096 0.111 1
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0324 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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