Detailed information for compound 1817446

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 479.59 | Formula: C27H34FN5O2
  • H donors: 0 H acceptors: 3 LogP: 4.96 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)C(c1ccccc1)N1CCN(CC1)c1ccc(cc1F)c1noc(n1)C(C)C)CC
  • InChi: 1S/C27H34FN5O2/c1-5-31(6-2)27(34)24(20-10-8-7-9-11-20)33-16-14-32(15-17-33)23-13-12-21(18-22(23)28)25-29-26(19(3)4)35-30-25/h7-13,18-19,24H,5-6,14-17H2,1-4H3
  • InChiKey: PVDFEHOTVBRHCY-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 Y2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis G protein coupled receptor 139 Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma mansoni neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus multilocularis neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus granulosus neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Get druggable targets OG5_127863 All targets in OG5_127863
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor neuropeptide Y receptor Y2 381 aa 388 aa 20.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.1201 0.8367 0.8356
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.002 0.0069 1
Leishmania major hypothetical protein, conserved 0.002 0.0069 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.002 0.0069 1
Leishmania major hypothetical protein, conserved 0.002 0.0069 1
Echinococcus granulosus neuropeptide receptor 0.0188 0.125 0.1189
Giardia lamblia Kinase, NEK 0.0011 0.0004 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0056 0.0325 0.1915
Leishmania major hypothetical protein, conserved 0.002 0.0069 1
Onchocerca volvulus 0.021 0.1403 1
Chlamydia trachomatis DNA topoisomerase I 0.0056 0.0325 0.5
Leishmania major hypothetical protein, conserved 0.002 0.0069 1
Giardia lamblia Kinase 0.0011 0.0004 0.5
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0069 1
Loa Loa (eye worm) brahma associated protein 0.0056 0.0325 0.1915
Plasmodium vivax hypothetical protein, conserved 0.0056 0.0325 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0056 0.0325 1
Giardia lamblia Kinase, NEK 0.0011 0.0004 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.002 0.0069 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0056 0.0325 1
Echinococcus multilocularis tumor protein p63 0.1433 1 1
Brugia malayi brahma associated protein 60 kDa 0.0056 0.0325 1
Schistosoma mansoni fusion 0.002 0.0069 0.0078
Onchocerca volvulus 0.0056 0.0325 0.1915
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0069 1
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0069 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0056 0.0325 1
Schistosoma mansoni neuropeptide receptor 0.0188 0.125 0.149
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0056 0.0325 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0056 0.0325 0.0257
Schistosoma mansoni RNA binding protein 0.002 0.0069 0.0078
Echinococcus multilocularis neuropeptide receptor 0.0188 0.125 0.1189
Schistosoma mansoni hypothetical protein 0.002 0.0069 0.0078
Entamoeba histolytica protein kinase, putative 0.1201 0.8367 1
Schistosoma mansoni serine/threonine protein kinase 0.1201 0.8367 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.002 0.0069 1
Echinococcus granulosus serine:threonine protein kinase Chk2 0.1201 0.8367 0.8356
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0325 0.5
Schistosoma mansoni hypothetical protein 0.0056 0.0325 0.0384
Loa Loa (eye worm) hypothetical protein 0.021 0.1403 1
Echinococcus multilocularis G protein coupled receptor 139 0.0188 0.125 0.1189
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.002 0.0069 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0056 0.0325 1
Schistosoma mansoni TRABID protein (C64 family) 0.002 0.0069 0.0078
Entamoeba histolytica protein kinase, putative 0.1201 0.8367 1
Leishmania major hypothetical protein, conserved 0.002 0.0069 1
Brugia malayi brahma associated protein 60 kDa 0.0056 0.0325 1
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0069 1
Chlamydia trachomatis SWIB complex protein 0.0056 0.0325 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0056 0.0325 0.0257
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.1201 0.8364 0.8352
Echinococcus multilocularis SWI:SNF matrix associated 0.0056 0.0325 0.0257
Schistosoma mansoni zinc finger protein 0.002 0.0069 0.0078
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0069 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0056 0.0325 0.0257
Schistosoma mansoni hypothetical protein 0.0056 0.0325 0.0384
Schistosoma mansoni brg-1 associated factor 0.0056 0.0325 0.0384
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0056 0.0325 0.5
Schistosoma mansoni cellular tumor antigen P53 0.021 0.1403 0.1672
Trypanosoma cruzi WLM domain containing protein, putative 0.002 0.0069 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.1201 0.8364 0.8352
Echinococcus granulosus SWI:SNF matrix associated 0.0056 0.0325 0.0257
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.002 0.0069 1
Schistosoma mansoni hypothetical protein 0.0056 0.0325 0.0384
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.002 0.0069 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.002 0.0069 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0056 0.0325 0.0257

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.13 uM Displacement of [125I]-PYY from human NPYY2 receptor ChEMBL. 24365162

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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