Detailed information for compound 1790535

Basic information

Technical information
  • TDR Targets ID: 1790535
  • Name: 3-butylpurin-6-amine
  • MW: 191.233 | Formula: C9H13N5
  • H donors: 1 H acceptors: 3 LogP: 0.61 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1cnc(c2c1ncn2)N
  • InChi: 1S/C9H13N5/c1-2-3-4-14-6-13-8(10)7-9(14)12-5-11-7/h5-6H,2-4,10H2,1H3
  • InChiKey: ZMPHCGXTTKSPRB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-butyl-6-purinamine
  • (3-butylpurin-6-yl)amine
  • 76412-61-8
  • AIDS-208352
  • AIDS208352
  • 3-Butyladenine
  • 3H-Purin-6-amine, 3-butyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli 3-methyl-adenine DNA glycosylase I, constitutive Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable DNA-3-methyladenine glycosylase I TagA (tag I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g Get druggable targets OG5_131288 All targets in OG5_131288
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative Get druggable targets OG5_131288 All targets in OG5_131288
Mycobacterium leprae PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE I TAGA (TAG I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g Get druggable targets OG5_131288 All targets in OG5_131288
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative Get druggable targets OG5_131288 All targets in OG5_131288
Mycobacterium ulcerans DNA-3-methyladenine glycosylase I TagA Get druggable targets OG5_131288 All targets in OG5_131288
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 glycogen synthase kinase 3 beta 0.0153 0 0.5
Giardia lamblia Kinase, CMGC GSK 0.0153 0 0.5
Plasmodium falciparum glycogen synthase kinase 3 0.0153 0 0.5
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0153 0 0.5
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0153 0 0.5
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0153 0 0.5
Giardia lamblia Kinase, CMGC GSK 0.0153 0 0.5
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0153 0 0.5
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0153 0 0.5
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.02 1 1
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.02 1 1
Trypanosoma brucei protein kinase, putative 0.0153 0 0.5
Onchocerca volvulus 0.0153 0 0.5
Entamoeba histolytica protein kinase, putative 0.0153 0 0.5
Brugia malayi intracellular kinase 0.0153 0 0.5
Plasmodium vivax glycogen synthase kinase 3, putative 0.0153 0 0.5
Echinococcus multilocularis protein kinase shaggy 0.0153 0 0.5
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0153 0 0.5
Echinococcus granulosus protein kinase shaggy 0.0153 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0153 0 0.5
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0153 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0153 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 20 ug ml-1 Inhibition of bovine adrenal medullae dopamine-beta-hydroxylase ChEMBL. 218008
IC50 (binding) = 2.3 uM Inhibition of Escherichia coli DNA-3-methyladenine glycosylase 1 ChEMBL. No reference

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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