Detailed information for compound 811759

Basic information

Technical information
  • TDR Targets ID: 811759
  • Name: 2-[2-(phenylmethylsulfanyl)-1,3-benzothiazol- 6-yl]isoindole-1,3-dione
  • MW: 402.489 | Formula: C22H14N2O2S2
  • H donors: 0 H acceptors: 3 LogP: 5.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(c2ccc3c(c2)sc(n3)SCc2ccccc2)C(=O)c2c1cccc2
  • InChi: 1S/C22H14N2O2S2/c25-20-16-8-4-5-9-17(16)21(26)24(20)15-10-11-18-19(12-15)28-22(23-18)27-13-14-6-2-1-3-7-14/h1-12H,13H2
  • InChiKey: LHRHHFPMKIQYFT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindoline-1,3-dione
  • 2-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-dione
  • 2-[2-(benzylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone
  • ZINC01062526
  • Oprea1_790456
  • A1962/0082561
  • BIM-0017297.P001
  • CDS1_003869
  • DivK1c_004909
  • CBMicro_017373

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
Loa Loa (eye worm) hypothetical protein 0.0042 0.0267 0.0925
Loa Loa (eye worm) hypothetical protein 0.0042 0.0267 0.0925
Echinococcus multilocularis adenosylhomocysteinase 0.0144 0.2887 1
Entamoeba histolytica adenosylhomocysteinase, putative 0.0144 0.2887 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0267 0.0925
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0144 0.2887 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0267 0.0925
Loa Loa (eye worm) hypothetical protein 0.0042 0.0267 0.0925
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.6003 1
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0144 0.2887 1
Onchocerca volvulus 0.0042 0.0267 1
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0144 0.2887 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0267 0.0925
Brugia malayi beta-lactamase 0.0042 0.0267 0.0925
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0267 0.0925
Schistosoma mansoni adenosylhomocysteinase 0.0089 0.1482 0.5136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0555 0.1923
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0267 0.0925
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0266 0.0923
Schistosoma mansoni adenosylhomocysteinase 0.0089 0.1482 0.5136
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0144 0.2887 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0555 0.1923
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0555 0.1923
Onchocerca volvulus 0.0042 0.0267 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0267 0.0925
Echinococcus granulosus adenosylhomocysteinase 0.0144 0.2887 1
Toxoplasma gondii adenosylhomocysteinase, putative 0.0144 0.2887 0.2691
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0144 0.2887 0.4567
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0555 0.1923
Onchocerca volvulus 0.0042 0.0267 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0555 0.1923
Loa Loa (eye worm) adenosylhomocysteinase 0.0144 0.2887 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0267 0.0925
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0144 0.2887 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0555 0.1923
Brugia malayi beta-lactamase family protein 0.0042 0.0267 0.0925
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0144 0.2887 1
Schistosoma mansoni hypothetical protein 0.0042 0.0266 0.0923
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0045 0.0359 0.0351
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0266 0.0923
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0144 0.2887 0.2691
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0144 0.2887 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0267 0.0925
Brugia malayi beta-lactamase family protein 0.0042 0.0267 0.0925
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0144 0.2887 1
Leishmania major S-adenosylhomocysteine hydrolase 0.0144 0.2887 1
Plasmodium falciparum adenosylhomocysteinase 0.0144 0.2887 0.5
Brugia malayi hypothetical protein 0.0042 0.0266 0.0923
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0266 0.0923
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0555 0.1923
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0555 0.1923
Brugia malayi Adenosylhomocysteinase 0.0144 0.2887 1
Schistosoma mansoni adenosylhomocysteinase 0.0089 0.1482 0.5136
Schistosoma mansoni adenosylhomocysteinase 0.0144 0.2887 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0267 0.0925
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0555 0.1923
Loa Loa (eye worm) beta-lactamase 0.0042 0.0267 0.0925
Schistosoma mansoni adenosylhomocysteinase 0.0089 0.1482 0.5136

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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