Detailed information for compound 1776782

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 703.276 | Formula: C34H35ClN8O3S2
  • H donors: 2 H acceptors: 5 LogP: 5.56 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cccc(c1)NC(=O)NC(C(=O)N1CCN(CC1)c1nsc2c1cccc2)CCC(=O)N1CCN(CC1)c1nsc2c1cccc2
  • InChi: 1S/C34H35ClN8O3S2/c35-23-6-5-7-24(22-23)36-34(46)37-27(33(45)43-20-18-42(19-21-43)32-26-9-2-4-11-29(26)48-39-32)12-13-30(44)40-14-16-41(17-15-40)31-25-8-1-3-10-28(25)47-38-31/h1-11,22,27H,12-21H2,(H2,36,37,46)
  • InChiKey: GACRXNRSYVNZIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0642 1 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0008 0.0066 0.0056
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0008 0.0066 0.0058
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0642 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0044 0.0622 0.0613
Onchocerca volvulus 0.0005 0.001 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0008 0.0066 0.0056
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0044 0.0622 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0642 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0008 0.0066 0.0056
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0044 0.0622 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0044 0.0622 0.0613
Onchocerca volvulus 0.0005 0.001 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0009 0.0074 0.0063
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0044 0.0622 0.0613
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0008 0.0066 0.0056
Schistosoma mansoni tyrosine kinase 0.0008 0.0066 0.0058
Schistosoma mansoni tyrosine kinase 0.0008 0.0066 0.0058
Echinococcus granulosus c src tyrosine kinase 0.0008 0.0066 0.0056
Onchocerca volvulus 0.0005 0.001 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0066 0.0056
Echinococcus granulosus NCK adaptor protein 0.0007 0.005 0.004
Brugia malayi Variant SH3 domain containing protein 0.0007 0.005 0.0652
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0642 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0615 0.988
Echinococcus granulosus cyclin dependent kinase 1 0.0044 0.0622 0.0613
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0066 0.0056
Loa Loa (eye worm) SRC-1 0.0008 0.0066 0.0916
Schistosoma mansoni growth factor receptor-bound protein 0.0007 0.005 0.0041
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0642 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0008 0.0066 0.0056
Schistosoma mansoni tyrosine kinase 0.0005 0.001 0.0001
Echinococcus granulosus cyclin dependent kinase 0.0044 0.0622 0.0613
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0008 0.0066 0.0056
Echinococcus multilocularis cyclin dependent kinase 1 0.0044 0.0622 0.0613
Onchocerca volvulus 0.0005 0.001 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0007 0.005 0.0041
Entamoeba histolytica cell division protein kinase 2, putative 0.0044 0.0622 0.0621
Echinococcus multilocularis NCK adaptor protein 0.0007 0.005 0.004
Brugia malayi Protein kinase domain containing protein 0.0044 0.0622 1
Brugia malayi cell division control protein 2 homolog 0.0044 0.0622 1
Schistosoma mansoni adapter molecule crk 0.0007 0.005 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0066 0.0056
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0066 0.0056
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0008 0.0066 0.0056
Schistosoma mansoni nck2/grb4 0.0007 0.005 0.0041
Brugia malayi Variant SH3 domain containing protein 0.0007 0.005 0.0652
Brugia malayi Sex muscle abnormal protein 5 0.0007 0.005 0.0652
Trichomonas vaginalis conserved hypothetical protein 0.0642 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0008 0.0066 0.0916
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0005 0.001 0.0009
Echinococcus multilocularis tyrosine protein kinase Abl 0.0008 0.0066 0.0056
Echinococcus granulosus cyclin dependent kinase 5 0.0044 0.0622 0.0613
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0008 0.0066 0.0056
Plasmodium falciparum protein kinase 5 0.0044 0.0622 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0008 0.0066 0.0056
Echinococcus multilocularis c src tyrosine kinase 0.0008 0.0066 0.0056
Loa Loa (eye worm) hypothetical protein 0.0007 0.005 0.0652
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0622 0.0614
Onchocerca volvulus 0.0005 0.001 1
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0622 0.0614
Schistosoma mansoni hypothetical protein 0.0642 1 1
Schistosoma mansoni tyrosine kinase 0.0008 0.0066 0.0058
Entamoeba histolytica hypothetical protein, conserved 0.0642 1 1
Giardia lamblia Rrm3p helicase 0.0642 1 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0007 0.005 0.004
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0066 0.0056
Schistosoma mansoni growth factor receptor-bound protein 0.0007 0.005 0.0041
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0007 0.005 0.0652
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0066 0.0056
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0044 0.0622 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0008 0.0066 0.0056
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0008 0.0066 0.0056
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0008 0.0066 0.0056
Schistosoma mansoni tyrosine kinase 0.0008 0.0066 0.0058
Echinococcus multilocularis cyclin dependent kinase 0.0044 0.0622 0.0613
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0642 1 1
Plasmodium vivax protein kinase Crk2 0.0044 0.0622 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.0642 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0044 0.0622 0.0621
Echinococcus granulosus growth factor receptor bound protein 2 0.0007 0.005 0.004
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0044 0.0622 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0642 1 1
Brugia malayi SRC-1 0.0008 0.0066 0.0916
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0642 1 1
Onchocerca volvulus 0.0005 0.001 1
Schistosoma mansoni tyrosine kinase 0.0005 0.001 0.0001
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0007 0.005 0.0652

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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