Detailed information for compound 146881

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 196.221 | Formula: C6H12O5S
  • H donors: 4 H acceptors: 4 LogP: -2.17 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCC1OC(O)C(C(C1O)O)O
  • InChi: 1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2
  • InChiKey: OMLRWUJGVBOYQP-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
Trichomonas vaginalis conserved hypothetical protein 0.0449 1 1
Brugia malayi Amidase family protein 0.0053 0.0636 0.0646
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0449 1 1
Mycobacterium ulcerans amidase 0.0053 0.0636 0.0636
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0449 1 1
Schistosoma mansoni amidase 0.0443 0.984 1
Leishmania major monoglyceride lipase, putative 0.0449 1 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0053 0.0636 0.0636
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0026 0 0.5
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0053 0.0636 0.0636
Echinococcus granulosus fatty acid amide hydrolase 1 0.0443 0.984 1
Plasmodium falciparum lysophospholipase, putative 0.0449 1 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0053 0.0636 0.5
Mycobacterium ulcerans amidase 0.0053 0.0636 0.0636
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0053 0.0636 1
Toxoplasma gondii hypothetical protein 0.0026 0 0.5
Plasmodium vivax PST-A protein 0.0449 1 1
Brugia malayi putative amidase 0.0053 0.0636 0.0646
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0053 0.0636 0.0636
Loa Loa (eye worm) amidase 0.0053 0.0636 0.0646
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0053 0.0636 0.0646
Toxoplasma gondii phospholipase 0.0026 0 0.5
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0026 0 0.5
Toxoplasma gondii peptidase S15, putative 0.0026 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0449 1 1
Plasmodium falciparum lysophospholipase, putative 0.0449 1 1
Toxoplasma gondii hypothetical protein 0.0026 0 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0449 1 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0053 0.0636 0.5
Onchocerca volvulus Huntingtin homolog 0.0116 0.2127 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0449 1 1
Onchocerca volvulus Huntingtin homolog 0.0116 0.2127 0.5
Mycobacterium ulcerans peptide amidase, GatA 0.0053 0.0636 0.0636
Plasmodium falciparum lysophospholipase, putative 0.0449 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0449 1 1
Loa Loa (eye worm) amidase 0.0053 0.0636 0.0646
Mycobacterium ulcerans amidase 0.0053 0.0636 0.0636
Leishmania major hypothetical protein, conserved 0.0053 0.0636 0.0636
Mycobacterium ulcerans hypothetical protein 0.0449 1 1
Trypanosoma cruzi amidase, putative 0.0053 0.0636 0.0636
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0026 0 0.5
Mycobacterium ulcerans amidase 0.0053 0.0636 0.0636
Brugia malayi Amidase family protein 0.0053 0.0636 0.0646
Trypanosoma brucei monoglyceride lipase, putative 0.0449 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.2127 0.2162
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0053 0.0636 0.0636
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0053 0.0636 0.0636
Trichomonas vaginalis conserved hypothetical protein 0.0449 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0443 0.984 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0443 0.984 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0449 1 1
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0053 0.0636 0.0636
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0053 0.0636 0.0646
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0449 1 1
Loa Loa (eye worm) hypothetical protein 0.0443 0.984 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0443 0.984 1
Toxoplasma gondii protein c14orf29, putative 0.0026 0 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0443 0.984 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0026 0 0.5
Brugia malayi amidase 0.0443 0.984 1
Mycobacterium ulcerans amidase 0.0053 0.0636 0.0636
Mycobacterium ulcerans lysophospholipase 0.0449 1 1
Toxoplasma gondii phospholipase/carboxylesterase 0.0026 0 0.5
Trypanosoma cruzi amidase, putative 0.0053 0.0636 0.0636
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0053 0.0636 0.0636
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0449 1 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0053 0.0636 0.0646
Loa Loa (eye worm) hypothetical protein 0.0116 0.2127 0.2162
Mycobacterium tuberculosis Possible lysophospholipase 0.0449 1 1
Toxoplasma gondii hypothetical protein 0.0026 0 0.5
Toxoplasma gondii hypothetical protein 0.0026 0 0.5
Plasmodium falciparum esterase, putative 0.0449 1 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0053 0.0636 0.0646
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0053 0.0636 0.0636
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0053 0.0636 0.0636
Echinococcus granulosus fatty acid amide hydrolase 1 0.0053 0.0636 0.0646
Schistosoma mansoni fatty-acid amide hydrolase 0.0053 0.0636 0.0646
Brugia malayi hypothetical protein 0.0116 0.2127 0.2162
Trypanosoma brucei monoglyceride lipase, putative 0.0449 1 1

Activities

Activity type Activity value Assay description Source Reference
lnKi (binding) = 0.69 Tested for inhibition constant against glycogen phosphorylase b ChEMBL. 8057302

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

1 literature reference was collected for this gene.

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