Detailed information for compound 1153105

Basic information

Technical information
  • TDR Targets ID: 1153105
  • Name: N'-acridin-9-yl-N-[4-[5-(acridin-9-ylamino)pe ntyl-(3-aminopropyl)amino]butyl]-N-(3-aminopr opyl)pentane-1,5-diamine
  • MW: 727.038 | Formula: C46H62N8
  • H donors: 4 H acceptors: 2 LogP: 8.56 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCCN(CCCCCNc1c2ccccc2nc2c1cccc2)CCCCN(CCCCCNc1c2ccccc2nc2c1cccc2)CCCN
  • InChi: 1S/C46H62N8/c47-27-17-35-53(31-13-1-11-29-49-45-37-19-3-7-23-41(37)51-42-24-8-4-20-38(42)45)33-15-16-34-54(36-18-28-48)32-14-2-12-30-50-46-39-21-5-9-25-43(39)52-44-26-10-6-22-40(44)46/h3-10,19-26H,1-2,11-18,27-36,47-48H2,(H,49,51)(H,50,52)
  • InChiKey: BRIYKCHNIFZVQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(9-acridinyl)-N-[4-[5-(9-acridinylamino)pentyl-(3-aminopropyl)amino]butyl]-N-(3-aminopropyl)pentane-1,5-diamine
  • 5-(acridin-9-ylamino)pentyl-[4-[5-(acridin-9-ylamino)pentyl-(3-aminopropyl)amino]butyl]-(3-aminopropyl)amine

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
Loa Loa (eye worm) TK/EGFR protein kinase 0.0159 0.1291 0.2614
Echinococcus multilocularis lamin 0.0026 0.011 0.0779
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0826 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0189 0.134
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0131 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0233 0.2822
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0131 0.5
Leishmania major DNA polymerase kappa, putative 0.0021 0.0058 0.07
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.0826 1
Onchocerca volvulus 0.0029 0.0135 0.0137
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0233 0.2822
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0826 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0019 0.0223
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Brugia malayi O-methyltransferase family protein 0.0118 0.0924 0.1872
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0131 1
Schistosoma mansoni hypothetical protein 0.0172 0.1407 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0105 0.0214
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0295
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0958
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0085 0.0635 0.4511
Loa Loa (eye worm) hypothetical protein 0.0029 0.0135 0.0274
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0058 0.0065
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Entamoeba histolytica hypothetical protein 0.0035 0.0189 0.2282
Brugia malayi Furin-like cysteine rich region family protein 0.0159 0.1291 0.2614
Schistosoma mansoni tyrosine kinase 0.0085 0.0635 0.4511
Onchocerca volvulus 0.0118 0.0924 0.4426
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0135 0.0958
Echinococcus granulosus epidermal growth factor receptor 0.0159 0.1291 0.9172
Schistosoma mansoni hypothetical protein 0.0035 0.0189 0.134
Schistosoma mansoni o-methyltransferase 0.0118 0.0924 0.6569
Echinococcus multilocularis musashi 0.0026 0.011 0.0779
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0189 0.134
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0826 0.1674
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0131 0.5
Schistosoma mansoni intermediate filament proteins 0.0026 0.011 0.0779
Schistosoma mansoni tyrosine kinase 0.0159 0.1291 0.9172
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0135 0.0958
Loa Loa (eye worm) hypothetical protein 0.0118 0.0924 0.1872
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0019 0.0223
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0826 0.3823
Echinococcus multilocularis 0.0049 0.0312 0.2216
Schistosoma mansoni tyrosine kinase 0.0051 0.0326 0.2317
Brugia malayi intermediate filament protein 0.0026 0.011 0.0222
Echinococcus granulosus intermediate filament protein 0.0026 0.011 0.0779
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0146 0.1763
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.011 0.0222
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0233 0.0564
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0826 1
Echinococcus multilocularis dna polymerase kappa 0.004 0.0233 0.1657
Brugia malayi polk-prov protein 0.003 0.0146 0.0295
Brugia malayi hypothetical protein 0.0035 0.0189 0.0382
Echinococcus granulosus dna polymerase kappa 0.004 0.0233 0.1657
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.0826 0.5873
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0058 0.07
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.0826 0.5873
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0233 0.0564
Loa Loa (eye worm) intermediate filament protein 0.0026 0.011 0.0222
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0131 0.5
Echinococcus granulosus insulin receptor 0.0051 0.0326 0.2317
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.0826 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0826 0.1674
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0118 0.0924 1
Entamoeba histolytica hypothetical protein 0.0035 0.0189 0.2282
Entamoeba histolytica hypothetical protein 0.0035 0.0189 0.2282
Brugia malayi Pre-SET motif family protein 0.0204 0.1698 0.3439
Brugia malayi 6-phosphofructokinase 0.0107 0.0826 0.1674
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0019 0.0223
Brugia malayi Pre-SET motif family protein 0.0029 0.0135 0.0274
Loa Loa (eye worm) TK/INSR protein kinase 0.0051 0.0326 0.0661
Schistosoma mansoni tyrosine kinase 0.0084 0.0627 0.4454
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0051 0.0326 0.2317
Echinococcus multilocularis epidermal growth factor receptor 0.0085 0.0635 0.4511
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.011 0.0222
Schistosoma mansoni lamin 0.0026 0.011 0.0779
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.1698 0.3439
Loa Loa (eye worm) hypothetical protein 0.0026 0.011 0.0222
Schistosoma mansoni tyrosine kinase 0.0085 0.0635 0.4511
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.1016 0.8949 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.0826 0.0923
Echinococcus multilocularis insulin receptor 0.0051 0.0326 0.2317
Brugia malayi O-methyltransferase family protein 0.0118 0.0924 0.1872
Brugia malayi O-methyltransferase 0.0118 0.0924 0.1872
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0058 0.07
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0826 0.5873
Brugia malayi Protein kinase domain containing protein 0.0051 0.0326 0.0661
Brugia malayi 6-phosphofructokinase 0.0107 0.0826 0.1674
Schistosoma mansoni o-methyltransferase 0.0118 0.0924 0.6569
Schistosoma mansoni tyrosine kinase 0.0051 0.0326 0.2317
Brugia malayi phosphofructokinase 0.0107 0.0826 0.1674
Loa Loa (eye worm) O-methyltransferase 0.0118 0.0924 0.1872
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0826 0.3823
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0189 0.134
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Plasmodium vivax SET domain protein, putative 0.0029 0.0135 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0135 0.0958
Mycobacterium ulcerans methyltransferase 0.0118 0.0924 0.0708
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0233 0.2822
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0146 0.1763
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0958
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0826 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0051 0.0326 0.2317
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0135 1
Echinococcus granulosus lamin dm0 0.0026 0.011 0.0779
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0958
Schistosoma mansoni lamin 0.0026 0.011 0.0779
Echinococcus multilocularis geminin 0.0172 0.1407 1
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0176 0.2122
Echinococcus multilocularis epidermal growth factor receptor 0.0159 0.1291 0.9172
Schistosoma mansoni hypothetical protein 0.0172 0.1407 1
Brugia malayi small heat shock protein 0.0567 0.4938 1
Schistosoma mansoni tyrosine kinase 0.0084 0.0627 0.4454
Trichomonas vaginalis set domain proteins, putative 0.0232 0.195 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0135 0.0958
Echinococcus granulosus epidermal growth factor receptor 0.0085 0.0635 0.4511
Mycobacterium tuberculosis Probable methyltransferase 0.0118 0.0924 0.1033
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0233 0.2822
Loa Loa (eye worm) hypothetical protein 0.0567 0.4938 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Brugia malayi O-methyltransferase family protein 0.0118 0.0924 0.1872
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0826 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.0826 0.0607
Onchocerca volvulus 0.0232 0.195 1
Loa Loa (eye worm) phosphofructokinase 0.0107 0.0826 0.1674
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0826 0.5873
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0233 0.2822
Trypanosoma brucei unspecified product 0.0034 0.0176 0.2122
Schistosoma mansoni tyrosine kinase 0.0084 0.0627 0.4454
Echinococcus multilocularis lamin dm0 0.0026 0.011 0.0779
Echinococcus granulosus geminin 0.0172 0.1407 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0118 0.0924 0.5
Schistosoma mansoni o-methyltransferase 0.0118 0.0924 0.6569
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0233 0.2822
Onchocerca volvulus 0.0118 0.0924 0.4426
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0233 0.2822
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0826 0.3823
Echinococcus granulosus lamin 0.0026 0.011 0.0779
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0131 0.158
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0125 0.089
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0826 0.3823
Schistosoma mansoni o-methyltransferase 0.0118 0.0924 0.6569
Entamoeba histolytica hypothetical protein 0.0035 0.0189 0.2282

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.
 
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

No literature references available for this target.

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