Detailed information for compound 217960

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.576 | Formula: C25H35N5O5
  • H donors: 4 H acceptors: 3 LogP: 0.76 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C(=C/1\C(=NC(=C(C1c1cccc(c1)NC(=O)NCCCN1CCNCC1)C(=O)OC)C)C)/O
  • InChi: 1S/C25H35N5O5/c1-16-20(23(31)34-3)22(21(17(2)28-16)24(32)35-4)18-7-5-8-19(15-18)29-25(33)27-9-6-12-30-13-10-26-11-14-30/h5,7-8,15,22,26,31H,6,9-14H2,1-4H3,(H2,27,29,33)/b23-20+
  • InChiKey: UMJBOBXRNQKAKQ-BSYVCWPDSA-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 Y1 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi follicle stimulating hormone receptor neuropeptide Y receptor Y1 384 aa 345 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0116 0.5 0.5
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0116 0.5 0.5
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0116 0.5 0.5
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0116 0.5 0.5
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0116 0.5 0.5
Treponema pallidum folylpolyglutamate synthetase (folC) 0.0116 0.5 0.5
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0116 0.5 0.5
Leishmania major folylpolyglutamate synthetase 0.0116 0.5 0.5
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0116 0.5 0.5
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0116 0.5 0.5
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0116 0.5 0.5
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0116 0.5 0.5
Trypanosoma cruzi folylpolyglutamate synthetase 0.0116 0.5 0.5
Loa Loa (eye worm) FolC protein 0.0116 0.5 0.5
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0116 0.5 0.5
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0116 0.5 0.5
Schistosoma mansoni folylpolyglutamate synthase 0.0116 0.5 0.5
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0116 0.5 0.5
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.0116 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 1000 nM Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane ChEMBL. 11814801
Ki (binding) > 1000 nM Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane ChEMBL. 11814801

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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