Detailed information for compound 1389299

Basic information

Technical information
  • TDR Targets ID: 1389299
  • Name: 2,3,6,7,8,9-hexahydro-[1,2,4]thiadiazino[3,2- b][1,3]benzothiazole 1,1-dioxide
  • MW: 244.334 | Formula: C9H12N2O2S2
  • H donors: 0 H acceptors: 2 LogP: 0.72 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S1(=O)CCN=c2n1c1CCCCc1s2
  • InChi: 1S/C9H12N2O2S2/c12-15(13)6-5-10-9-11(15)7-3-1-2-4-8(7)14-9/h1-6H2
  • InChiKey: HJNWWDUOGNKSLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • T0501-1480
  • MLS000055597
  • SMR000060122
  • ZINC03189378

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0083 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4143 0.4143
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0233 0.5468 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0083 0 0.5
Leishmania major hypothetical protein, conserved 0.0083 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.3146 0.5754
Brugia malayi brahma associated protein 60 kDa 0.0233 0.5468 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0083 0 0.5
Loa Loa (eye worm) brahma associated protein 0.0233 0.5468 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0233 0.5468 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0083 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4143 0.4143
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0 0.5
Schistosoma mansoni brg-1 associated factor 0.0233 0.5468 1
Chlamydia trachomatis SWIB complex protein 0.0233 0.5468 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0233 0.5468 0.5468
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.4143 0.7578
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0083 0 0.5
Onchocerca volvulus 0.0114 0.1124 0.2055
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.4143 0.7578
Brugia malayi SWIB/MDM2 domain containing protein 0.0233 0.5468 1
Trypanosoma brucei hypothetical protein, conserved 0.0083 0 0.5
Leishmania major hypothetical protein, conserved 0.0083 0 0.5
Leishmania major hypothetical protein, conserved 0.0083 0 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0083 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0083 0 0.5
Leishmania major hypothetical protein, conserved 0.0083 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0233 0.5468 0.5468
Chlamydia trachomatis DNA topoisomerase I 0.0233 0.5468 0.5
Onchocerca volvulus 0.0233 0.5468 1
Plasmodium vivax hypothetical protein, conserved 0.0233 0.5468 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.4143 0.4143
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0083 0 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0233 0.5468 1
Schistosoma mansoni hypothetical protein 0.0233 0.5468 1
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0233 0.5468 0.5468
Trypanosoma cruzi WLM domain containing protein, putative 0.0083 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0233 0.5468 0.5
Schistosoma mansoni hypothetical protein 0.0233 0.5468 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0083 0 0.5
Schistosoma mansoni hypothetical protein 0.0233 0.5468 1
Brugia malayi brahma associated protein 60 kDa 0.0233 0.5468 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.3146 0.5754
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0233 0.5468 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0233 0.5468 0.5468
Echinococcus multilocularis SWI:SNF matrix associated 0.0233 0.5468 0.5468
Leishmania major hypothetical protein, conserved 0.0083 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0233 0.5468 0.5468
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0233 0.5468 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0233 0.5468 1
Echinococcus multilocularis tumor protein p63 0.0358 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0052 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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