Detailed information for compound 779797

Basic information

Technical information
  • TDR Targets ID: 779797
  • Name: 7,8-dimethoxy-1-oxoisothiochromene-3-carboxyl ic acid
  • MW: 266.27 | Formula: C12H10O5S
  • H donors: 1 H acceptors: 3 LogP: 2.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)ccc2c1c(=O)sc(c2)C(=O)O
  • InChi: 1S/C12H10O5S/c1-16-7-4-3-6-5-8(11(13)14)18-12(15)9(6)10(7)17-2/h3-5H,1-2H3,(H,13,14)
  • InChiKey: UZOICEKOYMNEAH-UHFFFAOYSA-N  

Network

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Synonyms

  • 7,8-dimethoxy-1-oxo-isothiochromene-3-carboxylic acid
  • 7,8-dimethoxy-1-oxo-3-isothiochromenecarboxylic acid
  • 1-keto-7,8-dimethoxy-isothiochromene-3-carboxylic acid
  • A3771/0159981

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
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0648 1 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.1724 0.5626
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0648 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0224 0.3064 1
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0648 1 0.5
Schistosoma mansoni patched 1 0.0043 0.0103 0.0337
Loa Loa (eye worm) hypothetical protein 0.0052 0.026 0.0529
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0648 1 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.1028 1
Echinococcus granulosus geminin 0.0171 0.2197 0.7171
Schistosoma mansoni sterol O-acyltransferase 1 0.0224 0.3064 1
Echinococcus multilocularis protein dispatched 1 0.0049 0.0202 0.0658
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0103 0.0337
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0103 0.0337
Schistosoma mansoni hypothetical protein 0.0041 0.0078 0.0255
Echinococcus multilocularis sterol O acyltransferase 1 0.0224 0.3064 1
Echinococcus granulosus sterol O acyltransferase 1 0.0224 0.3064 1
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0103 0.0337
Schistosoma mansoni hypothetical protein 0.0041 0.0078 0.0255
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.1028 1
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.1724 0.5626
Schistosoma mansoni hypothetical protein 0.0041 0.0078 0.0255
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1054 0.3438
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0648 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0084 0.0783 0.7617
Loa Loa (eye worm) hypothetical protein 0.0202 0.2707 0.8794
Schistosoma mansoni hypothetical protein 0.0041 0.0078 0.0255
Echinococcus multilocularis geminin 0.0171 0.2197 0.7171
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.1028 0.3357
Schistosoma mansoni hypothetical protein 0.0171 0.2197 0.7171
Brugia malayi CHE-14 protein 0.0043 0.0103 0.1004
Entamoeba histolytica fatty acid elongase, putative 0.0084 0.0783 0.7617
Echinococcus multilocularis expressed conserved protein 0.0093 0.093 0.3036
Entamoeba histolytica fatty acid elongase, putative 0.0084 0.0783 0.7617
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0648 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0084 0.0783 0.7617
Echinococcus multilocularis protein patched 0.0043 0.0103 0.0337
Loa Loa (eye worm) hypothetical protein 0.0099 0.1028 0.3125
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0103 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0648 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0084 0.0783 0.7617
Schistosoma mansoni hypothetical protein 0.0171 0.2197 0.7171
Echinococcus granulosus expressed conserved protein 0.0093 0.093 0.3036
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.1028 0.3357

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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