Detailed information for compound 774326

Basic information

Technical information
  • TDR Targets ID: 774326
  • Name: 3-[(2Z)-5-chloro-2-[(3-methyl-1,3-benzothiazo l-3-ium-2-yl)methylidene]-1,3-benzothiazol-3- yl]propane-1-sulfonate
  • MW: 452.998 | Formula: C19H17ClN2O3S3
  • H donors: 0 H acceptors: 3 LogP: 4.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(s2)C=c1sc2c(n1C)cccc2
  • InChi: 1S/C19H17ClN2O3S3/c1-21-14-5-2-3-6-16(14)26-18(21)12-19-22(9-4-10-28(23,24)25)15-11-13(20)7-8-17(15)27-19/h2-3,5-8,11-12H,4,9-10H2,1H3
  • InChiKey: ZQLHFENYGXZGLI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(2Z)-5-chloro-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

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 granulosus PHD finger protein rhinoceros 0.0028 0.1138 0.0906
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.5219 0.5094
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0255 0.0346
Brugia malayi Bromodomain containing protein 0.0037 0.236 0.1897
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.1138 0.1701
Brugia malayi Bromodomain containing protein 0.0031 0.1455 0.0937
Schistosoma mansoni hypothetical protein 0.0028 0.1138 0.1543
Loa Loa (eye worm) hypothetical protein 0.0028 0.1138 0.1701
Loa Loa (eye worm) hypothetical protein 0.004 0.2686 0.4014
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.2213 0.3307
Loa Loa (eye worm) hypothetical protein 0.0042 0.2941 0.4395
Entamoeba histolytica hypothetical protein 0.0035 0.205 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.205 0.1842
Schistosoma mansoni jumonji domain containing protein 0.0074 0.7378 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.205 0.1842
Schistosoma mansoni hypothetical protein 0.0035 0.205 0.2778
Brugia malayi PHD-finger family protein 0.0028 0.1138 0.0601
Onchocerca volvulus Alhambra homolog 0.0028 0.1138 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.6692 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.1138 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.2044 0.1835
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.5219 0.5094
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.1138 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.237 0.3541
Brugia malayi Bromodomain containing protein 0.0073 0.7263 0.7097
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.2213 0.2999
Entamoeba histolytica hypothetical protein 0.0035 0.205 0.5
Plasmodium falciparum phd finger protein, putative 0.0028 0.1138 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.2213 0.2009
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.1958 0.1747
Brugia malayi jmjC domain containing protein 0.0036 0.2213 0.1741
Giardia lamblia PHD finger protein 15 0.0028 0.1138 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.2213 0.2999
Echinococcus granulosus jumonji domain containing protein 0.004 0.2664 0.2472
Loa Loa (eye worm) hypothetical protein 0.0049 0.3921 0.5859
Brugia malayi hypothetical protein 0.0035 0.205 0.1568
Schistosoma mansoni bromodomain containing protein 0.0062 0.5698 0.7722
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.205 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.1138 0.0906
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.2044 0.1835
Echinococcus granulosus peregrin 0.0031 0.1455 0.1231
Echinococcus multilocularis peregrin 0.0031 0.1455 0.1231
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.1138 0.1543
Echinococcus multilocularis jumonji domain containing protein 0.004 0.2664 0.2472
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.205 0.2778
Plasmodium vivax hypothetical protein, conserved 0.0028 0.1138 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.5286 0.7899
Entamoeba histolytica hypothetical protein 0.0035 0.205 0.5

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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