Detailed information for compound 1862920

Basic information

Technical information
  • TDR Targets ID: 1862920
  • Name: 3-(cyclohexylmethyl)purin-6-amine
  • MW: 231.297 | Formula: C12H17N5
  • H donors: 1 H acceptors: 3 LogP: 1.73 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncn(c2c1ncn2)CC1CCCCC1
  • InChi: 1S/C12H17N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h7-9H,1-6,13H2
  • InChiKey: ZDVQTRPQGGANLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(cyclohexylmethyl)-6-purinamine
  • [3-(cyclohexylmethyl)purin-6-yl]amine
  • 3H-Purin-6-amine, 3-(cyclohexylmethyl)-
  • AIDS-208356
  • AIDS208356

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Dopamine beta-hydroxylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni dopamine-beta-monooxygenase Get druggable targets OG5_129281 All targets in OG5_129281
Schistosoma japonicum ko:K00503 dopamine beta-monooxygenase [EC1.14.17.1], putative Get druggable targets OG5_129281 All targets in OG5_129281
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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.055 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0074 0.0736 0.1799
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0076 0.0835 0.204
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.055 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.055 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0149 0.4092 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.4092 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0149 0.4092 1
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0149 0.4092 0.3748
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0149 0.4092 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.055 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.4092 1
Schistosoma mansoni peptidylglycine monooxygenase 0.0149 0.4092 0.3748
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0149 0.4092 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.055 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.055 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 ug ml-1 Inhibition of bovine adrenal medullae dopamine-beta-hydroxylase ChEMBL. 218008

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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