Detailed information for compound 1795523

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.515 | Formula: C23H17NO4S2
  • H donors: 1 H acceptors: 3 LogP: 5.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CN1C(=S)S/C(=C\c2ccc3c(c2)ccc(c3)OCc2ccccc2)/C1=O
  • InChi: 1S/C23H17NO4S2/c25-21(26)13-24-22(27)20(30-23(24)29)11-16-6-7-18-12-19(9-8-17(18)10-16)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,26)/b20-11-
  • InChiKey: KISAPJIKSXNLMG-JAIQZWGSSA-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
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0101 0.7046 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0139 1 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0139 1 0.5
Plasmodium falciparum lysophospholipase, putative 0.0139 1 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0139 1 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0139 1 0.5
Brugia malayi amidase 0.0101 0.7046 1
Schistosoma mansoni amidase 0.0101 0.7046 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.7046 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0 0.5
Mycobacterium ulcerans lysophospholipase 0.0139 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0139 1 0.5
Plasmodium falciparum esterase, putative 0.0139 1 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0139 1 1
Trypanosoma brucei monoglyceride lipase, putative 0.0139 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0139 1 0.5
Plasmodium falciparum lysophospholipase, putative 0.0139 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0139 1 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0101 0.7046 1
Plasmodium falciparum lysophospholipase, putative 0.0139 1 1
Leishmania major monoglyceride lipase, putative 0.0139 1 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0139 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0139 1 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0101 0.7046 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0139 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0139 1 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0139 1 1
Plasmodium vivax PST-A protein 0.0139 1 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0101 0.7046 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0101 0.7046 1
Trypanosoma brucei monoglyceride lipase, putative 0.0139 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 64 ug ml-1 Antibacterial activity against Escherichia coli CCARM 1356 assessed as growth inhibition after 20 hr by two-fold serial dilution method ChEMBL. No reference
MIC (functional) > 64 ug ml-1 Antibacterial activity against Escherichia coli CCARM 1924 assessed as growth inhibition after 20 hr by two-fold serial dilution method 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

Bibliographic References

No literature references available for this target.

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