Detailed information for compound 171518

Basic information

Technical information
  • TDR Targets ID: 171518
  • Name: 2-[4-[4-(diaminomethylideneamino)butylamino]b utyl]guanidine
  • MW: 243.352 | Formula: C10H25N7
  • H donors: 5 H acceptors: 0 LogP: -1.11 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NCCCCNCCCCNC(=N)N
  • InChi: 1S/C10H25N7/c11-9(12)16-7-3-1-5-15-6-2-4-8-17-10(13)14/h15H,1-8H2,(H4,11,12,16)(H4,13,14,17)
  • InChiKey: FKVPYTSWZSAXRC-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(4-guanidinobutylamino)butyl]guanidine
  • 2-[4-[4-[bis(azanyl)methylideneamino]butylamino]butyl]guanidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Deoxyhypusine synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Echinococcus granulosus deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Plasmodium yoelii Deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Brugia malayi deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Trypanosoma cruzi deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Trypanosoma brucei gambiense deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Cryptosporidium parvum deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Trichomonas vaginalis deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Candida albicans deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Giardia lamblia Deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Plasmodium falciparum deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Plasmodium vivax deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Echinococcus multilocularis deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Leishmania infantum deoxyhypusine synthase-like Get druggable targets OG5_127351 All targets in OG5_127351
Leishmania braziliensis deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Plasmodium berghei deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Toxoplasma gondii deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Leishmania major deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Loa Loa (eye worm) deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Schistosoma japonicum ko:K00809 deoxyhypusine synthase [EC2.5.1.46], putative Get druggable targets OG5_127351 All targets in OG5_127351
Trypanosoma brucei deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Trypanosoma congolense deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Entamoeba histolytica deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Entamoeba histolytica deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Neospora caninum Probable deoxyhypusine synthase (EC 2.5.1.46), related Get druggable targets OG5_127351 All targets in OG5_127351
Candida albicans deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Plasmodium knowlesi deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Leishmania donovani deoxyhypusine synthase-like Get druggable targets OG5_127351 All targets in OG5_127351
Leishmania mexicana deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351
Cryptosporidium hominis deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Schistosoma mansoni deoxyhypusine synthase Get druggable targets OG5_127351 All targets in OG5_127351
Theileria parva deoxyhypusine synthase, putative Get druggable targets OG5_127351 All targets in OG5_127351

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 cruzi deoxyhypusine synthase, putative 0.0084 1 0.5
Plasmodium vivax deoxyhypusine synthase, putative 0.0084 1 0.5
Onchocerca volvulus 0.0077 0 0.5
Echinococcus granulosus deoxyhypusine synthase 0.0084 1 1
Onchocerca volvulus 0.0077 0 0.5
Leishmania major deoxyhypusine synthase, putative 0.0084 1 0.5
Onchocerca volvulus 0.0077 0 0.5
Trichomonas vaginalis deoxyhypusine synthase, putative 0.0084 1 0.5
Entamoeba histolytica deoxyhypusine synthase, putative 0.0084 1 0.5
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Echinococcus multilocularis deoxyhypusine synthase 0.0084 1 1
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0077 0 0.5
Entamoeba histolytica deoxyhypusine synthase, putative 0.0084 1 0.5
Plasmodium falciparum deoxyhypusine synthase 0.0084 1 0.5
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Giardia lamblia Deoxyhypusine synthase, putative 0.0084 1 0.5
Onchocerca volvulus 0.0077 0 0.5
Toxoplasma gondii deoxyhypusine synthase 0.0084 1 0.5
Onchocerca volvulus 0.0077 0 0.5
Loa Loa (eye worm) deoxyhypusine synthase 0.0084 1 1
Onchocerca volvulus 0.0077 0 0.5
Schistosoma mansoni deoxyhypusine synthase 0.0084 1 1
Trypanosoma brucei deoxyhypusine synthase 0.0084 1 0.5
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 85 % Effect on spermidine uptake in CHO cells at concentration 10 uM. ChEMBL. 7636868
Control (functional) = 100 % Effect of the compound on Hypusine formation in CHO cells at concentration 3 uM. ChEMBL. 7636868
Control (functional) = 100 % Effect of the compound on Hypusine formation in CHO cells at concentration 10 uM. ChEMBL. 7636868
Control (functional) = 100 % Effect of the compound on hypusine synthesis in CHO cells at concentration 3 uM. ChEMBL. 7636868
Control (functional) = 100 % Effect of the compound on hypusine synthesis in CHO cells at concentration 10 uM. ChEMBL. 7636868
Control (functional) = 100 % Effect of the compound on Hypusine formation in CHO cells at concentration 3 uM. ChEMBL. 7636868
Control (functional) = 100 % Effect of the compound on Hypusine formation in CHO cells at concentration 10 uM. ChEMBL. 7636868
Control (functional) = 100 % Effect of the compound on hypusine synthesis in CHO cells at concentration 3 uM. ChEMBL. 7636868
Control (functional) = 100 % Effect of the compound on hypusine synthesis in CHO cells at concentration 10 uM. ChEMBL. 7636868
Growth inhibition (functional) 0 Growth inhibition was measured against CHO cell line. ChEMBL. 7636868
IC50 (binding) = 3.2 uM In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase. ChEMBL. 7636868
IC50 (binding) = 3.2 uM In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase. ChEMBL. 7636868

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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