Detailed information for compound 273022

Basic information

Technical information
  • TDR Targets ID: 273022
  • Name: 4-methyl-2-(prop-2-enylamino)benzo[e][1,3]ben zothiazol-5-ol hydrochloride
  • MW: 306.81 | Formula: C15H15ClN2OS
  • H donors: 2 H acceptors: 2 LogP: 5.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNc1sc2c(n1)c1ccccc1c(c2C)O.Cl
  • InChi: 1S/C15H14N2OS.ClH/c1-3-8-16-15-17-12-10-6-4-5-7-11(10)13(18)9(2)14(12)19-15;/h3-7,18H,1,8H2,2H3,(H,16,17);1H
  • InChiKey: BUKNCKVUQVFGJV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(allylamino)-4-methyl-benzo[e][1,3]benzothiazol-5-ol hydrochloride
  • 2-(allylamino)-4-methyl-5-benzo[e][1,3]benzothiazolol hydrochloride

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
Toxoplasma gondii protease inhibitor PI1 0.0007 0.5 0.5
Schistosoma mansoni serine protease inhibitors serpins 0.0007 0.5 0.5
Brugia malayi serpin 0.0007 0.5 0.5
Onchocerca volvulus 0.0007 0.5 0.5
Onchocerca volvulus 0.0007 0.5 0.5
Echinococcus multilocularis serine protease inhibitor 0.0007 0.5 0.5
Toxoplasma gondii serpin (serine proteinase inhibitor) superfamily protein 0.0007 0.5 0.5
Loa Loa (eye worm) serpin 0.0007 0.5 0.5
Brugia malayi serpin (BmSERPIN) 0.0007 0.5 0.5
Brugia malayi serpin precursor 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5
Onchocerca volvulus 0.0007 0.5 0.5
Echinococcus multilocularis Estrogen regulated protein EP45 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5
Brugia malayi serpin 0.0007 0.5 0.5
Brugia malayi serpin 0.0007 0.5 0.5
Schistosoma mansoni serine protease inhibitors serpins 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5
Echinococcus granulosus Estrogen regulated protein EP45 0.0007 0.5 0.5
Brugia malayi serpin (BmSERPIN) 0.0007 0.5 0.5
Onchocerca volvulus 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5
Schistosoma mansoni serine protease inhibitors serpins 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5
Echinococcus granulosus serine protease inhibitor 0.0007 0.5 0.5
Onchocerca volvulus 0.0007 0.5 0.5
Echinococcus multilocularis serine protease inhibitor 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5
Giardia lamblia Serpin 1 0.0007 0.5 0.5
Schistosoma mansoni serpin 0.0007 0.5 0.5
Schistosoma mansoni serine protease inhibitors serpins 0.0007 0.5 0.5
Brugia malayi serpin 0.0007 0.5 0.5
Brugia malayi serpin 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5
Echinococcus granulosus serine protease inhibitor 0.0007 0.5 0.5
Schistosoma mansoni serpin 0.0007 0.5 0.5
Loa Loa (eye worm) serpin 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5
Brugia malayi Serpin protein 6 0.0007 0.5 0.5
Schistosoma mansoni serine protease inhibitors serpins 0.0007 0.5 0.5
Brugia malayi BmSERPIN 0.0007 0.5 0.5
Entamoeba histolytica serine protease inhibitor, putative 0.0007 0.5 0.5
Loa Loa (eye worm) serpin protein 6 0.0007 0.5 0.5
Onchocerca volvulus 0.0007 0.5 0.5
Brugia malayi BmSERPIN, truncated 0.0007 0.5 0.5
Loa Loa (eye worm) serpin 0.0007 0.5 0.5
Echinococcus multilocularis Estrogen regulated protein EP45 0.0007 0.5 0.5
Brugia malayi hypothetical protein 0.0007 0.5 0.5
Echinococcus granulosus Estrogen regulated protein EP45 0.0007 0.5 0.5
Brugia malayi serpin 0.0007 0.5 0.5
Schistosoma mansoni serine protease inhibitors serpins 0.0007 0.5 0.5
Loa Loa (eye worm) serpin 0.0007 0.5 0.5
Echinococcus granulosus plasminogen activator inhibitor 2 0.0007 0.5 0.5
Echinococcus granulosus serine protease inhibitor 0.0007 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Max dose (functional) = 200 mg kg-1 Maximum tolerated (nonfatal) intraperitoneal dose tested in mice infected with Trypanosoma brucei. ChEMBL. 7097719
Max dose (functional) = 200 mg kg-1 Maximum tolerated (nonfatal) intraperitoneal dose tested in mice infected with Trypanosoma brucei. ChEMBL. 7097719
Min lytic concentration (functional) = 20 uM Minimum concentration producing complete lysis of all trypanosomes within 30 min at 37 degrees C in vitro ChEMBL. 7097719
Min lytic concentration (functional) = 20 uM Minimum concentration producing complete lysis of all trypanosomes within 30 min at 37 degrees C in vitro ChEMBL. 7097719

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

1 literature reference was collected for this gene.

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