Detailed information for compound 411593

Basic information

Technical information
  • TDR Targets ID: 411593
  • Name: 2-[(E)-[6-(2,4-dichloro-5-nitrophenyl)imidazo [2,1-b][1,3]thiazol-5-yl]methylideneamino]gua nidine
  • MW: 398.227 | Formula: C13H9Cl2N7O2S
  • H donors: 2 H acceptors: 3 LogP: 3.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)N/N=C/c1c(nc2n1ccs2)c1cc([N+](=O)[O-])c(cc1Cl)Cl
  • InChi: 1S/C13H9Cl2N7O2S/c14-7-4-8(15)9(22(23)24)3-6(7)11-10(5-18-20-12(16)17)21-1-2-25-13(21)19-11/h1-5H,(H4,16,17,20)/b18-5+
  • InChiKey: FEUFPNJBZIRVDI-BLLMUTORSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(E)-[6-(2,4-dichloro-5-nitro-phenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine
  • 2-[(E)-[6-(2,4-dichloro-5-nitrophenyl)-5-imidazo[2,1-b]thiazolyl]methyleneamino]guanidine
  • 2-[(E)-[6-(2,4-dichloro-5-nitro-phenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
  • 2-[[6-(2,4-dichloro-5-nitrophenyl)imidazo[2,3-b][1,3]thiazol-5-yl]methylideneamino]guanidine
  • 2-[[6-(2,4-dichloro-5-nitro-phenyl)imidazo[2,3-b]thiazol-5-yl]methyleneamino]guanidine
  • 2-[[6-(2,4-dichloro-5-nitrophenyl)-5-imidazo[2,3-b]thiazolyl]methyleneamino]guanidine
  • 2-[[6-(2,4-dichloro-5-nitro-phenyl)imidazo[2,3-b][1,3]thiazol-5-yl]methylideneamino]guanidine
  • NCI60_041116

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
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0085 0 0.5
Onchocerca volvulus 0.0085 0 0.5
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0101 0.022 0.0425
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.045 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0118 0.045 0.0869
Onchocerca volvulus 0.0085 0 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0465 0.5176 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0465 0.5176 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0118 0.045 0.0869
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0465 0.5176 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0085 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0085 0 0.5
Onchocerca volvulus 0.0085 0 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0465 0.5176 1
Giardia lamblia Kinase, AGC AKT 0.0101 0.022 0.5
Loa Loa (eye worm) hypothetical protein 0.0819 1 1
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0085 0 0.5
Onchocerca volvulus 0.0085 0 0.5
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0101 0.022 0.022
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0118 0.045 0.045
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0085 0 0.5
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0465 0.5176 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 5.75 Antitumor activity against NSCLC cell lines of the NCI60 panel ChEMBL. 17181173
LC50 (functional) = 5.2 Antitumor activity against NSCLC cell lines of the NCI60 panel ChEMBL. 17181173
Log LC50 (functional) = 4.22 Antitumor activity against leukemia cell lines of the NCI60 panel ChEMBL. 17181173
Log LC50 (functional) = 4.99 Antitumor activity against colon cell lines of the NCI60 panel ChEMBL. 17181173
Log LC50 (functional) = 5.2 Antitumor activity against NSCLC cell lines of the NCI60 panel ChEMBL. 17181173
Log LC50 (functional) = 5.2 Antitumor activity against ovarian cell lines of the NCI60 panel ChEMBL. 17181173
Log LC50 (functional) = 5.29 Antitumor activity against melanoma cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 4.62 Antitumor activity against renal cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 5.22 Antitumor activity against breast cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 5.35 Antitumor activity against renal cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 5.37 Antitumor activity against leukemia cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 5.45 Antitumor activity against ovarian cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 5.46 Antitumor activity against NSCLC cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 5.46 Antitumor activity against CNS cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 5.52 Antitumor activity against melanoma cell lines of the NCI60 panel ChEMBL. 17181173
Log TGI (functional) = 5.67 Antitumor activity against colon cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.55 Antitumor activity against breast cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.68 Antitumor activity against prostate cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.7 Antitumor activity against renal cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.73 Antitumor activity against ovarian cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.75 Antitumor activity against NSCLC cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.8 Antitumor activity against melanoma cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.81 Antitumor activity against CNS cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.84 Antitumor activity against leukemia cell lines of the NCI60 panel ChEMBL. 17181173
pGI50 (functional) = 5.99 Antitumor activity against colon cell lines of the NCI60 panel ChEMBL. 17181173
TGI (functional) = 5.46 Antitumor activity against NSCLC cell lines of the NCI60 panel ChEMBL. 17181173

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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