Detailed information for compound 29152

Basic information

Technical information
  • TDR Targets ID: 29152
  • Name: N,N-bis(2-chloroethyl)-5-nitro-1,3-thiazol-2- amine
  • MW: 270.136 | Formula: C7H9Cl2N3O2S
  • H donors: 0 H acceptors: 3 LogP: 2.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCN(c1ncc(s1)[N+](=O)[O-])CCCl
  • InChi: 1S/C7H9Cl2N3O2S/c8-1-3-11(4-2-9)7-10-5-6(15-7)12(13)14/h5H,1-4H2
  • InChiKey: ZOVABAGIQNPQRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-bis(2-chloroethyl)-5-nitro-thiazol-2-amine
  • N,N-bis(2-chloroethyl)-5-nitro-2-thiazolamine
  • bis(2-chloroethyl)-(5-nitrothiazol-2-yl)amine
  • NSC666733

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
Trichomonas vaginalis rap1 and, putative 0.0122 1 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0 0.5
Entamoeba histolytica Ras family GTPase 0.0122 1 0.5
Trichomonas vaginalis rheb, putative 0.0122 1 0.5
Entamoeba histolytica ras-1, putative 0.0122 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0 0.5
Trichomonas vaginalis ras-dva small GTPase, putative 0.0122 1 0.5
Echinococcus multilocularis ras gtpase 0.0122 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0 0.5
Trichomonas vaginalis ral, putative 0.0122 1 0.5
Schistosoma mansoni coup transcription factor 0.0029 0 0.5
Onchocerca volvulus 0.0029 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0029 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0029 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0029 0 0.5
Trichomonas vaginalis GTP-binding protein rit, putative 0.0122 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.0029 0 0.5
Trichomonas vaginalis dexras1, putative 0.0122 1 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0 0.5
Echinococcus granulosus ras gtpase 0.0122 1 1
Loa Loa (eye worm) Ras protein let-60 0.0122 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0029 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 1 1
Brugia malayi Ras-related protein R-Ras2 0.0122 1 1
Entamoeba histolytica Ras family GTPase 0.0122 1 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 207 uM Cytotoxicity in T79-A3 (NR-positive) cell lines ChEMBL. 9111301
IC50 (functional) = 207 uM Cytotoxicity in T79-A3 (NR-positive) cell lines ChEMBL. 9111301
IC50 (functional) > 1000 uM Cytotoxicity in T78-1 (NR-negative) cell lines ChEMBL. 9111301
Ratio (functional) > 5 IC50 ratio for NR-positive and NR-negative cell lines ChEMBL. 9111301

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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