Detailed information for compound 430839

Basic information

Technical information
  • TDR Targets ID: 430839
  • Name: 6-chloro-9-[[3-[(6-chloropurin-9-yl)methyl]ph enyl]methyl]purine
  • MW: 411.247 | Formula: C18H12Cl2N8
  • H donors: 0 H acceptors: 6 LogP: 3.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ncnc2c1ncn2Cc1cccc(c1)Cn1cnc2c1ncnc2Cl
  • InChi: 1S/C18H12Cl2N8/c19-15-13-17(23-7-21-15)27(9-25-13)5-11-2-1-3-12(4-11)6-28-10-26-14-16(20)22-8-24-18(14)28/h1-4,7-10H,5-6H2
  • InChiKey: WNOPZFAOVADSHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-9-[[3-[(6-chloro-9-purinyl)methyl]phenyl]methyl]purine
  • 6-chloro-9-[3-[(6-chloropurin-9-yl)methyl]benzyl]purine
  • Bis-arylpurines
  • NSC733887

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 tyrosine protein kinase Src42A 0.0064 0.0292 0.0292
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0066 0.0304 0.0304
Entamoeba histolytica protein kinase, putative 0.0059 0.0261 0.0259
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.0107 0.0543 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0074 0.0346 0.0346
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.172 1 1
Schistosoma mansoni tyrosine kinase 0.0074 0.0346 0.0346
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0074 0.0346 0.0346
Trichomonas vaginalis CAMK family protein kinase 0.172 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0074 0.0346 0.0346
Trichomonas vaginalis CAMK family protein kinase 0.172 1 1
Mycobacterium ulcerans haloalkane dehalogenase 0.0795 0.4575 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0852 0.4913 0.4621
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0064 0.0292 0.0292
Loa Loa (eye worm) SRC-1 0.0074 0.0346 0.0346
Brugia malayi protein-tyrosine kinase 0.0066 0.0304 0.0304
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0017 0.0012 0.0012
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0017 0.0012 0.0012
Trichomonas vaginalis CAMK family protein kinase 0.172 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.172 1 1
Schistosoma mansoni tyrosine kinase 0.0017 0.0012 0.0012
Schistosoma mansoni kinase 0.0875 0.5046 0.5046
Brugia malayi SRC-1 0.0074 0.0346 0.0346
Trypanosoma brucei polo-like protein kinase 0.172 1 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.172 1 0.5
Loa Loa (eye worm) TK protein kinase 0.0066 0.0304 0.0304
Echinococcus granulosus serine:threonine protein kinase PLK1 0.172 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.172 1 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0017 0.0012 0.0012
Trichomonas vaginalis CAMK family protein kinase 0.172 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0074 0.0346 0.0346
Echinococcus multilocularis tyrosine protein kinase Srms 0.0066 0.0304 0.0304
Echinococcus multilocularis tyrosine protein kinase Blk 0.0066 0.0304 0.0304
Trichomonas vaginalis CAMK family protein kinase 0.0852 0.4913 0.4621
Echinococcus granulosus tyrosine kinase 0.0066 0.0304 0.0304
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0795 0.4575 0.5
Trichomonas vaginalis CAMK family protein kinase 0.172 1 1
Onchocerca volvulus 0.0936 0.5405 0.5404
Entamoeba histolytica serine/threonine protein kinase, putative 0.172 1 1
Plasmodium falciparum NIMA related kinase 1 0.0107 0.0543 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.172 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0074 0.0346 0.0346
Brugia malayi Tyrosine-protein kinase abl-1 0.0017 0.0012 0.0012
Echinococcus granulosus tyrosine protein kinase Src64B 0.0074 0.0346 0.0346
Trypanosoma cruzi polo-like protein kinase, putative 0.172 1 0.5
Echinococcus granulosus tyrosine protein kinase HCK 0.0059 0.0261 0.0261
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0074 0.0346 0.0346
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0074 0.0346 0.0346
Loa Loa (eye worm) IKK protein kinase 0.0936 0.5405 0.5405
Schistosoma mansoni serine/threonine protein kinase 0.172 1 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0066 0.0304 0.0304
Brugia malayi Protein kinase domain containing protein 0.0936 0.5405 0.5405
Echinococcus granulosus tyrosine protein kinase Blk 0.0066 0.0304 0.0304
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0074 0.0346 0.0346
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0074 0.0346 0.0346
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0074 0.0346 0.0346
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0074 0.0346 0.0346
Echinococcus granulosus tyrosine protein kinase Src42A 0.0074 0.0346 0.0346
Trichomonas vaginalis CAMK family protein kinase 0.172 1 1
Giardia lamblia Kinase, PLK 0.172 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0074 0.0346 0.0346
Echinococcus granulosus tyrosine protein kinase Fyn 0.0074 0.0346 0.0346
Echinococcus granulosus c src tyrosine kinase 0.0017 0.0012 0.0012
Schistosoma mansoni tyrosine kinase 0.0017 0.0012 0.0012
Echinococcus multilocularis tyrosine protein kinase Abl 0.0017 0.0012 0.0012
Toxoplasma gondii NIMA-related protein kinase NIMA1 0.0107 0.0543 0.5
Schistosoma mansoni tyrosine kinase 0.0074 0.0346 0.0346
Loa Loa (eye worm) TK protein kinase 0.0059 0.0261 0.0261
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0017 0.0012 0.0012
Echinococcus multilocularis tyrosine protein kinase HCK 0.0059 0.0261 0.0261
Trichomonas vaginalis CAMK family protein kinase 0.172 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0081 0.0391 0.0391
Echinococcus granulosus tyrosine protein kinase Fyn 0.0074 0.0346 0.0346

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 65 % Anticancer activity against human NCL-H460 cells assessed as growth at 100 uM after 48 hrs by SRB protein assay relative to control ChEMBL. 17166630
Activity (functional) = 65 % Anticancer activity against human NCL-H460 cells assessed as growth at 100 uM after 48 hrs by SRB protein assay relative to control ChEMBL. 17166630
Activity (functional) = 77 % Anticancer activity against human MCF7 cells assessed as growth at 100 uM after 48 hrs by SRB protein assay relative to control ChEMBL. 17166630
Activity (functional) = 77 % Anticancer activity against human MCF7 cells assessed as growth at 100 uM after 48 hrs by SRB protein assay relative to control ChEMBL. 17166630
Activity (functional) = 90 % Anticancer activity against human SF268 cells assessed as growth at 100 uM after 48 hrs by SRB protein assay relative to control ChEMBL. 17166630
Activity (functional) = 90 % Anticancer activity against human SF268 cells assessed as growth at 100 uM after 48 hrs by SRB protein assay relative to control ChEMBL. 17166630

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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