Detailed information for compound 1182987

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.626 | Formula: C28H36N6
  • H donors: 1 H acceptors: 2 LogP: 5.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1nc(cc1C)CN1CCN(CC1)c1cccc2c1nc([nH]2)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C28H36N6/c1-6-34-20(2)18-23(31-34)19-32-14-16-33(17-15-32)25-9-7-8-24-26(25)30-27(29-24)21-10-12-22(13-11-21)28(3,4)5/h7-13,18H,6,14-17,19H2,1-5H3,(H,29,30)
  • InChiKey: QGXZIDOHOHDIIV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis lamin dm0 0.0026 0.2628 0.2628
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.027 0.027
Onchocerca volvulus 0.0026 0.2628 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.654 0.654
Loa Loa (eye worm) hypothetical protein 0.0025 0.2535 0.2535
Loa Loa (eye worm) intermediate filament protein 0.0026 0.2628 0.2628
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.654 0.5306
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.654 0.654
Onchocerca volvulus 0.0026 0.2628 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.654 0.654
Echinococcus granulosus intermediate filament protein 0.0026 0.2628 0.2628
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.654 0.654
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.654 0.5306
Echinococcus granulosus lamin 0.0026 0.2628 0.2628
Loa Loa (eye worm) hypothetical protein 0.0026 0.2628 0.2628
Echinococcus multilocularis musashi 0.0026 0.2628 0.2628
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.2628 0.2628
Echinococcus granulosus lamin dm0 0.0026 0.2628 0.2628
Echinococcus multilocularis lamin 0.0026 0.2628 0.2628
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.654 0.654
Brugia malayi intermediate filament protein 0.0026 0.2628 0.2423
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.654 0.6444
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.654 0.5306
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.2628 0.2423

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 32 % Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor at 50 nM ChEMBL. 19251413

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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