Detailed information for compound 1265690

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 508.019 | Formula: C27H33ClF3N3O
  • H donors: 1 H acceptors: 1 LogP: 6.7 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cc(ccc1N1CCC(CC1)N1CCCCC1)NC(=O)C(c1cccc(c1)C(F)(F)F)(C)C
  • InChi: 1S/C27H33ClF3N3O/c1-26(2,19-7-6-8-20(17-19)27(29,30)31)25(35)32-21-9-10-24(23(28)18-21)34-15-11-22(12-16-34)33-13-4-3-5-14-33/h6-10,17-18,22H,3-5,11-16H2,1-2H3,(H,32,35)
  • InChiKey: BPGOSRQFTCQNCB-UHFFFAOYSA-N  

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 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 mansoni 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
Echinococcus multilocularis G protein coupled receptor 139 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
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0078 0.2517 0.2517
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.2517 0.2517
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.2517 0.2517
Onchocerca volvulus Bile acid receptor homolog 0.0078 0.2517 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0188 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0078 0.2517 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0078 0.2517 0.2517
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2517 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0078 0.2517 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2517 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0078 0.2517 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0078 0.2517 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.2517 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0078 0.2517 0.2517
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0078 0.2517 0.2517
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0078 0.2517 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0078 0.2517 0.2517
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0078 0.2517 0.2517
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0078 0.2517 0.2517
Schistosoma mansoni nuclear hormone receptor 0.0078 0.2517 0.2517
Schistosoma mansoni retinoic acid receptor RXR 0.0078 0.2517 0.2517
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0078 0.2517 0.2517
Loa Loa (eye worm) steroid hormone receptor 0.0078 0.2517 1
Brugia malayi nuclear hormone receptor 0.0078 0.2517 1
Schistosoma mansoni thyroid hormone receptor 0.0078 0.2517 0.2517
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0078 0.2517 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0078 0.2517 0.2517
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2517 1
Echinococcus granulosus ecdysone induced protein 78C 0.0078 0.2517 0.2517
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0078 0.2517 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0078 0.2517 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0078 0.2517 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0078 0.2517 0.2517
Brugia malayi steroid hormone receptor 0.0078 0.2517 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0078 0.2517 0.2517
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0078 0.2517 0.2517
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0078 0.2517 0.2517
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0078 0.2517 1
Echinococcus granulosus FTZ F1 alpha 0.0078 0.2517 0.2517
Schistosoma mansoni coup transcription factor 0.0078 0.2517 0.2517
Brugia malayi ecdysteroid receptor 0.0078 0.2517 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0078 0.2517 0.2517
Echinococcus multilocularis neuropeptide receptor 0.0188 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2517 1
Schistosoma mansoni RAR-like nuclear receptor 0.0078 0.2517 0.2517
Brugia malayi Nuclear hormone receptor-like 1 0.0078 0.2517 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0078 0.2517 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0078 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.0078 0.2517 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0078 0.2517 1
Schistosoma mansoni neuropeptide receptor 0.0188 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0078 0.2517 0.2517
Brugia malayi photoreceptor-specific nuclear receptor 0.0078 0.2517 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.2517 1
Brugia malayi nuclear receptor NHR-88 0.0078 0.2517 1
Brugia malayi Steroid receptor seven-up type 2 0.0078 0.2517 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0078 0.2517 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0078 0.2517 1
Echinococcus multilocularis FTZ F1 alpha 0.0078 0.2517 0.2517
Onchocerca volvulus 0.0078 0.2517 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.2517 0.2517
Loa Loa (eye worm) hypothetical protein 0.0078 0.2517 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0078 0.2517 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0078 0.2517 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0078 0.2517 0.2517
Echinococcus multilocularis ecdysone induced protein 78C 0.0078 0.2517 0.2517
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.2517 1
Schistosoma mansoni thyroid hormone receptor 0.0078 0.2517 0.2517
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.2517 0.2517

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 7.8 Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay ChEMBL. 21074426

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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