Detailed information for compound 354456

Basic information

Technical information
  • TDR Targets ID: 354456
  • Name: (1-phenylcyclopentyl)methanamine
  • MW: 175.27 | Formula: C12H17N
  • H donors: 1 H acceptors: 0 LogP: 2.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC1(CCCC1)c1ccccc1
  • InChi: 1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
  • InChiKey: SJWOFBVBNFLWLP-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(1-PHENYLCYCLOPENTYL)METHANAMINE
  • 1-(1-phenylcyclopentyl)methylamine
  • 1-Phenylcyclopentanemethylamine
  • C-(1-Phenyl-cyclopentyl)-methylamine
  • (1-phenylcyclopentyl)methylamine
  • 17511-89-6
  • BAS 03220621
  • CHEBI:39505
  • Oprea1_048901
  • 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE
  • Oprea1_129053
  • STOCK1S-02345
  • 4-12-00-02971 (Beilstein Handbook Reference)
  • BRN 2936636
  • Cyclopentanemethylamine, 1-phenyl-

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
Plasmodium falciparum adenosine deaminase 0.2035 1 1
Leishmania major adenine aminohydrolase 0.2035 1 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.2035 1 0.5
Schistosoma mansoni adenosine deaminase-related 0.2035 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.2035 1 0.5
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.1391 0.2517 0.5
Entamoeba histolytica adenosine deaminase, putative 0.2035 1 1
Trypanosoma cruzi AMP deaminase, putative 0.1391 0.2517 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.2035 1 1
Echinococcus multilocularis adenosine deaminase 0.2035 1 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.2035 1 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.2035 1 0.5
Plasmodium vivax adenosine deaminase, putative 0.2035 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.2035 1 0.5
Treponema pallidum adenosine deaminase 0.2035 1 0.5
Schistosoma mansoni adenosine deaminase 0.2035 1 1
Trypanosoma cruzi AMP deaminase, putative 0.1391 0.2517 0.5
Echinococcus granulosus adenosine deaminase 0.2035 1 1
Onchocerca volvulus Adenosine deaminase homolog 0.2035 1 1
Trypanosoma brucei AMP deaminase, putative 0.1391 0.2517 0.5
Mycobacterium ulcerans adenosine deaminase 0.2035 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.1391 0.2517 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.1391 0.2517 0.5
Trypanosoma cruzi AMP deaminase, putative 0.1391 0.2517 0.5
Trypanosoma brucei AMP deaminase, putative 0.1391 0.2517 0.5
Entamoeba histolytica adenosine deaminase, putative 0.2035 1 1
Loa Loa (eye worm) AMP deaminase 0.1391 0.2517 0.2517
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.1391 0.2517 0.5
Loa Loa (eye worm) hypothetical protein 0.2035 1 1
Trypanosoma brucei AMP deaminase, putative 0.1391 0.2517 0.5
Trypanosoma cruzi AMP deaminase, putative 0.1391 0.2517 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 30 uM Inhibition of DPP4 by continuous fluorimetric assay ChEMBL. 16376544
IC50 (binding) = 30 uM Inhibition of DPP4 by continuous fluorimetric assay ChEMBL. 16376544
IC50 (binding) = 33 uM Inhibition of DPP4 by continuous fluorimetric assay ChEMBL. 16376544
IC50 (binding) = 33 uM Inhibition of DPP4 by continuous fluorimetric assay ChEMBL. 16376544
IC50 (binding) = 40 uM Inhibition of DPP4 ChEMBL. 16321524
IC50 (binding) = 40 uM Inhibition of DPP4 ChEMBL. 16321524
IC50 (binding) = 40 uM Binding affinity to DPP4 ChEMBL. 18457385
Inhibition (binding) = 70 % Inhibition of DPP4 at 100 uM ChEMBL. 16321524
Inhibition (binding) = 70 % Inhibition of DPP4 at 100 uM ChEMBL. 16321524

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

3 literature references were collected for this gene.

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