Detailed information for compound 652596

Basic information

Technical information
  • TDR Targets ID: 652596
  • Name: 3-[(2Z)-5-methoxy-2-(2-sulfanylidenepropylide ne)-1,3-benzothiazol-3-yl]propane-1-sulfonate
  • MW: 344.469 | Formula: C14H16O4S3-
  • H donors: 0 H acceptors: 3 LogP: 1.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)[C](=CC(=S)C)(S2)CCCS(=O)(=O)[O-]
  • InChi: 1S/C14H17NO4S3/c1-10(20)8-14-15(6-3-7-22(16,17)18)12-9-11(19-2)4-5-13(12)21-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17,18)/p-1/b14-8-
  • InChiKey: LBEWJRSAUSTFRP-ZSOIEALJSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 3-[5-methoxy-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate
  • 3-[5-methoxy-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate
  • 3-[(2Z)-5-methoxy-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate
  • ZINC03145423
  • BAS 00482302

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 mixed lineage leukemia protein mll 0.0007 0.0651 0.0765
Schistosoma mansoni synaptojanin 0.0004 0.0071 0.0071
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0956 0.1166
Plasmodium falciparum DNase I-like protein, putative 0.0004 0.0071 0.0093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.7362 0.961
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0047 0.7658 0.8624
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.268 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.268 0.5
Trichomonas vaginalis helicase, putative 0.0006 0.0542 0.0686
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.7362 0.961
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0071 0.0093
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.268 0.3439
Echinococcus multilocularis protein kinase shaggy 0.0047 0.7658 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0542 0.0686
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0047 0.7658 0.7658
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.7362 0.961
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0542 0.0686
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0071 0.0093
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0004 0.0071 0.007
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0004 0.0071 0.0093
Brugia malayi CXXC zinc finger family protein 0.0028 0.4403 0.571
Entamoeba histolytica protein kinase domain containing protein 0.0047 0.7658 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0651 0.0765
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.7362 0.961
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.268 1
Schistosoma mansoni ap endonuclease 0.0018 0.268 0.268
Schistosoma mansoni hypothetical protein 0.0004 0.0071 0.0071
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.268 0.3439
Onchocerca volvulus 0.0047 0.7658 1
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0004 0.0071 0.007
Schistosoma mansoni neutral sphingomyelinase 0.0004 0.0071 0.0071
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0071 0.007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0542 0.0686
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0071 0.007
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.268 0.3439
Echinococcus granulosus cpg binding protein 0.003 0.4688 0.6085
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Schistosoma mansoni synaptojanin 0.0004 0.0071 0.0071
Trichomonas vaginalis Phospholipase C precursor, putative 0.0004 0.0071 0.007
Brugia malayi intracellular kinase 0.0047 0.7658 1
Schistosoma mansoni cpg binding protein 0.0028 0.4403 0.4403
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.268 0.3439
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.7362 0.961
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.7362 0.7362
Giardia lamblia Kinase, CMGC GSK 0.0047 0.7658 1
Entamoeba histolytica protein kinase domain containing protein 0.0047 0.7658 1
Echinococcus multilocularis cpg binding protein 0.003 0.4688 0.6085
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0004 0.0071 0.007
Schistosoma mansoni cpg binding protein 0.003 0.4688 0.4688
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0956 0.1166
Plasmodium falciparum carbon catabolite repressor protein 4, putative 0.0004 0.0071 0.0093
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.268 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.268 0.35
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.7362 0.7362
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0047 0.7658 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0071 0.007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0651 0.0651
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0542 0.0686
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Schistosoma mansoni ap endonuclease 0.0018 0.268 0.268
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0004 0.0071 0.007
Schistosoma mansoni cript-related 0.0004 0.0071 0.0071
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0542 0.0686
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.268 0.3484
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0651 0.0765
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.7658 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.268 0.3439
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.4403 0.571
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0542 0.0686
Plasmodium falciparum endonuclease/exonuclease/phosphatase family protein, putative 0.0004 0.0071 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Entamoeba histolytica protein kinase, putative 0.0047 0.7658 1
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0004 0.0071 0.0093
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.8869 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0956 0.1166
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0071 0.0093
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0047 0.7658 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.268 0.3439
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0004 0.0071 0.0071
Plasmodium falciparum carbon catabolite repressor protein 4, putative 0.0004 0.0071 0.0093
Plasmodium falciparum exodeoxyribonuclease III, putative 0.0004 0.0071 0.0093
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.7658 1
Toxoplasma gondii exonuclease III APE 0.0018 0.268 0.2966
Plasmodium vivax glycogen synthase kinase 3, putative 0.0047 0.7658 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0542 0.0686
Onchocerca volvulus 0.0028 0.4403 0.571
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0004 0.0071 0.0093
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0651 0.0765
Schistosoma mansoni carbon catabolite repressor protein 0.0004 0.0071 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Trypanosoma brucei protein kinase, putative 0.0047 0.7658 1
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0004 0.0071 0.007
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Schistosoma mansoni cpg binding protein 0.003 0.4688 0.4688
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0127 0.0127
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.7362 0.961
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.268 0.3439
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0004 0.0071 0.0093
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0542 0.0686
Giardia lamblia Kinase, CMGC GSK 0.0047 0.7658 1
Schistosoma mansoni nocturnin 0.0004 0.0071 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0542 0.0686
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.268 0.3439
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0071 0.0093
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0004 0.0071 0.0093
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.268 0.3439
Plasmodium falciparum glycogen synthase kinase 3 0.0047 0.7658 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.268 0.35
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0071 0.0093
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.268 0.3484
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0047 0.7658 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.268 0.3439
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0936 0.114
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0047 0.7658 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.7658 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.7362 0.7362
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.7658 1
Echinococcus granulosus protein kinase shaggy 0.0047 0.7658 1
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0071 0.0093

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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