Detailed information for compound 209510

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 227.305 | Formula: C14H17N3
  • H donors: 1 H acceptors: 2 LogP: 2.85 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(CC1)c1c[nH]c(n1)c1cccnc1
  • InChi: 1S/C14H17N3/c1-2-5-11(6-3-1)13-10-16-14(17-13)12-7-4-8-15-9-12/h4,7-11H,1-3,5-6H2,(H,16,17)
  • InChiKey: HSNIPLAHMYNOOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide Y receptor Y5 Starlite/ChEMBL References

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
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0229 0.034
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.1887 1
Entamoeba histolytica hypothetical protein 0.0036 0.1315 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.6742 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.1021 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3096 0.3096
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0614 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0614 0.2319
Leishmania major DNA polymerase eta, putative 0.0031 0.1021 0.4775
Brugia malayi hypothetical protein 0.0036 0.1315 0.195
Loa Loa (eye worm) RNA binding protein 0.0063 0.3096 0.4591
Schistosoma mansoni hypothetical protein 0.0169 1 1
Echinococcus granulosus dna polymerase eta 0.0045 0.1887 0.1887
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1315 0.1315
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.6742 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0229 0.0229
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1315 0.1315
Echinococcus granulosus dna polymerase kappa 0.0019 0.0229 0.0229
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0229 0.0229
Schistosoma mansoni hypothetical protein 0.0034 0.1191 0.1191
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0229 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.1887 0.2799
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3096 0.4591
Brugia malayi RNA binding protein 0.0063 0.3096 0.4591
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3096 0.4591
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0229 0.5
Schistosoma mansoni DNA polymerase eta 0.0045 0.1887 0.1887
Loa Loa (eye worm) hypothetical protein 0.0045 0.1887 0.2799
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0229 0.0229
Brugia malayi TAR-binding protein 0.0063 0.3096 0.4591
Entamoeba histolytica hypothetical protein 0.0036 0.1315 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0229 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3096 0.3096
Loa Loa (eye worm) hypothetical protein 0.005 0.2218 0.3289
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.1887 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0229 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.1315 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2218 0.3289
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0614 0.5
Echinococcus granulosus tar DNA binding protein 0.0063 0.3096 0.3096
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1191 0.1767
Loa Loa (eye worm) hypothetical protein 0.0025 0.0614 0.091
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3096 0.4591
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.1021 0.4775
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3096 0.3096
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3096 0.3096
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2218 0.3289
Schistosoma mansoni hypothetical protein 0.0169 1 1
Leishmania major DNA polymerase eta, putative 0.0045 0.1887 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0614 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0229 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0614 0.2319
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0229 0.0229
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1315 0.1315
Entamoeba histolytica hypothetical protein 0.0036 0.1315 1
Echinococcus multilocularis dna polymerase eta 0.0045 0.1887 0.1887
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3096 0.3096
Loa Loa (eye worm) hypothetical protein 0.0034 0.1191 0.1767
Brugia malayi hypothetical protein 0.0016 0.0032 0.0048
Giardia lamblia DINP protein human, muc B family 0.0019 0.0229 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3096 0.3096
Brugia malayi hypothetical protein 0.0025 0.0614 0.091
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0229 0.0229
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0229 0.034
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0229 0.5
Brugia malayi MH2 domain containing protein 0.0119 0.6742 1
Leishmania major hypothetical protein, conserved 0.0025 0.0614 0.2319
Echinococcus multilocularis geminin 0.0169 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2218 0.3289
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0614 0.2319
Schistosoma mansoni hypothetical protein 0.0036 0.1315 0.1315

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 36 nM Compound was tested for [Ca2+] mobilization in NPY5 transfected human Bowes melanoma (HMCB) cell line. ChEMBL. 14505677
Ki (binding) = 231 nM Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells ChEMBL. 14505677
Ki (binding) = 231 nM Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells ChEMBL. 14505677

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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