Detailed information for compound 17628

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.405 | Formula: C16H20N2O5S
  • H donors: 2 H acceptors: 3 LogP: 0.78 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCOCn1c(=O)[nH]c(=O)c(c1Sc1cccc(c1)COC)C
  • InChi: 1S/C16H20N2O5S/c1-11-14(20)17-16(21)18(10-23-7-6-19)15(11)24-13-5-3-4-12(8-13)9-22-2/h3-5,8,19H,6-7,9-10H2,1-2H3,(H,17,20,21)
  • InChiKey: PDZOPCFWJKIINO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Brugia malayi Animal haem peroxidase family protein 0.007 0.2517 0.2517
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0247 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.2243 1
Loa Loa (eye worm) animal heme peroxidase 0.007 0.2517 0.2517
Brugia malayi Blistered cuticle protein 3 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2243 0.5
Echinococcus multilocularis geminin 0.0177 0.706 1
Brugia malayi POT family protein 0.0124 0.48 0.48
Onchocerca volvulus Dual oxidase homolog 0.007 0.2517 1
Echinococcus granulosus peroxidasin 0.007 0.2517 0.3565
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2243 0.3176
Schistosoma mansoni hypothetical protein 0.0177 0.706 1
Brugia malayi hypothetical protein 0.007 0.2517 0.2517
Echinococcus granulosus geminin 0.0177 0.706 1
Onchocerca volvulus Peroxidase homolog 0.007 0.2517 1
Loa Loa (eye worm) animal heme peroxidase 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Onchocerca volvulus 0.007 0.2517 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.2243 0.5
Brugia malayi Animal haem peroxidase family protein 0.007 0.2517 0.2517
Echinococcus multilocularis peroxidasin 0.007 0.2517 0.3565
Loa Loa (eye worm) POT family protein 0.0124 0.48 0.48
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Loa Loa (eye worm) blistered cuticle protein 3 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0155 0.5
Brugia malayi Animal haem peroxidase family protein 0.007 0.2517 0.2517
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2243 0.5
Schistosoma mansoni hypothetical protein 0.0177 0.706 1
Onchocerca volvulus Peroxidase homolog 0.007 0.2517 1
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0155 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2243 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.2243 0.3176
Schistosoma mansoni peroxidasin 0.007 0.2517 0.3565
Loa Loa (eye worm) animal heme peroxidase 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.2243 0.5
Onchocerca volvulus 0.007 0.2517 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.2243 0.3176
Onchocerca volvulus 0.007 0.2517 1
Onchocerca volvulus Chorion peroxidase homolog 0.007 0.2517 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2243 0.3176
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Schistosoma mansoni peroxidasin 0.007 0.2517 0.3565
Brugia malayi Animal haem peroxidase family protein 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Onchocerca volvulus Peroxidasin homolog 0.007 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Loa Loa (eye worm) animal heme peroxidase 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517
Onchocerca volvulus Peroxidasin homolog 0.007 0.2517 1
Brugia malayi Peroxidasin 0.007 0.2517 0.2517
Brugia malayi Animal haem peroxidase family protein 0.007 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.007 0.2517 0.2517

Activities

Activity type Activity value Assay description Source Reference
Log 1/C (functional) = 5.14 Tested for 50% protection of MT-4 cells from HIV infection ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.